Showing NP-Card for (+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+ (NP0040334)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-20 22:31:44 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-30 00:14:11 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0040334 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | (+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | (+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+ is found in Eunicea sp. It was first documented in 2011 (Mayorga, H., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)Mrv1652306212100313D 61 63 0 0 0 0 999 V2000 -1.1557 -2.8653 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -2.1897 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 -1.5246 -1.1071 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8359 -1.1064 -2.0174 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8725 -0.1280 -1.4193 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8975 0.0791 -2.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -0.8161 -2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -0.4516 -3.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0489 -1.7791 -1.7116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 1.2770 -0.9704 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6396 1.9836 -2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 2.1103 -0.4558 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1131 3.3744 0.2866 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0853 3.0556 1.3830 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6134 4.2966 2.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6081 4.2125 3.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 5.3434 1.4523 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1501 5.5454 1.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 2.2362 0.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1165 1.8364 1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 0.8040 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3403 0.6981 3.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0987 -0.2588 2.8356 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6037 -1.7024 2.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0768 -2.0678 1.2748 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7611 -3.3237 1.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 1.0669 0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -2.9785 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 -3.3495 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 -2.2197 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 -0.6423 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -2.0084 -2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 -0.6741 -2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 -0.5880 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 -1.1689 -3.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 0.5455 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3881 -0.4884 -4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 2.0146 -3.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 3.0171 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 1.4818 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 1.5004 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 2.3797 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 4.0997 -0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 3.8429 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 2.4066 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 3.9524 4.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 3.4521 3.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 5.1650 4.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 5.1921 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 5.9283 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 2.8414 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 2.5394 1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 0.5862 4.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9794 1.5873 3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -0.1626 3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -0.1459 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -0.1000 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -1.8877 3.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 -2.3888 3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -1.3378 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -4.0199 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 18 17 1 0 0 0 0 21 23 1 0 0 0 0 10 27 1 0 0 0 0 23 24 1 0 0 0 0 12 13 1 0 0 0 0 24 25 1 0 0 0 0 13 14 1 0 0 0 0 25 2 1 0 0 0 0 14 19 1 0 0 0 0 2 3 1 0 0 0 0 19 27 1 0 0 0 0 3 4 1 0 0 0 0 14 15 1 0 0 0 0 4 5 1 0 0 0 0 10 5 1 0 0 0 0 2 1 2 3 0 0 0 15 16 1 1 0 0 0 21 22 1 0 0 0 0 15 18 1 0 0 0 0 5 6 1 0 0 0 0 10 11 1 6 0 0 0 25 26 1 0 0 0 0 17 15 1 0 0 0 0 6 7 1 0 0 0 0 19 20 1 0 0 0 0 7 9 2 0 0 0 0 10 12 1 0 0 0 0 7 8 1 0 0 0 0 20 21 2 0 0 0 0 14 45 1 1 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 19 51 1 6 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 20 52 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 6 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 1 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 26 61 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 M END 3D MOL for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)RDKit 3D 61 63 0 0 0 0 0 0 0 0999 V2000 -1.1557 -2.8653 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -2.1897 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 -1.5246 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -1.1064 -2.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8725 -0.1280 -1.4193 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8975 0.0791 -2.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -0.8161 -2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -0.4516 -3.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0489 -1.7791 -1.7116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 1.2770 -0.9704 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6396 1.9836 -2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 2.1103 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 3.3744 0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 3.0556 1.3830 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6134 4.2966 2.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6081 4.2125 3.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 5.3434 1.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 5.5454 1.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 2.2362 0.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1165 1.8364 1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 0.8040 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3403 0.6981 3.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0987 -0.2588 2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -1.7024 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0768 -2.0678 1.2748 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7611 -3.3237 1.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 1.0669 0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -2.9785 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 -3.3495 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 -2.2197 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 -0.6423 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -2.0084 -2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 -0.6741 -2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 -0.5880 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 -1.1689 -3.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 0.5455 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3881 -0.4884 -4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 2.0146 -3.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 3.0171 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 1.4818 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 1.5004 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 2.3797 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 4.0997 -0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 3.8429 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 2.4066 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 3.9524 4.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 3.4521 3.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 5.1650 4.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 5.1921 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 5.9283 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 2.8414 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 2.5394 1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 0.5862 4.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9794 1.5873 3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -0.1626 3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -0.1459 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -0.1000 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -1.8877 3.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 -2.3888 3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -1.3378 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -4.0199 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 18 17 1 0 21 23 1 0 10 27 1 0 23 24 1 0 12 13 1 0 24 25 1 0 13 14 1 0 25 2 1 0 14 19 1 0 2 3 1 0 19 27 1 0 3 4 1 0 14 15 1 0 4 5 1 0 10 5 1 0 2 1 2 3 15 16 1 1 21 22 1 0 15 18 1 0 5 6 1 0 10 11 1 6 25 26 1 0 17 15 1 0 6 7 1 0 19 20 1 0 7 9 2 0 10 12 1 0 7 8 1 0 20 21 2 0 14 45 1 1 17 49 1 0 17 50 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 19 51 1 6 16 46 1 0 16 47 1 0 16 48 1 0 11 38 1 0 11 39 1 0 11 40 1 0 20 52 1 0 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 25 60 1 6 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 1 1 28 1 0 1 29 1 0 22 53 1 0 22 54 1 0 22 55 1 0 26 61 1 0 8 35 1 0 8 36 1 0 8 37 1 0 M END 3D SDF for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)Mrv1652306212100313D 61 63 0 0 0 0 999 V2000 -1.1557 -2.8653 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -2.1897 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 -1.5246 -1.1071 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8359 -1.1064 -2.0174 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8725 -0.1280 -1.4193 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8975 0.0791 -2.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -0.8161 -2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -0.4516 -3.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0489 -1.7791 -1.7116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 1.2770 -0.9704 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6396 1.9836 -2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 2.1103 -0.4558 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1131 3.3744 0.2866 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0853 3.0556 1.3830 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6134 4.2966 2.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6081 4.2125 3.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 5.3434 1.4523 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1501 5.5454 1.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 2.2362 0.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1165 1.8364 1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 0.8040 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3403 0.6981 3.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0987 -0.2588 2.8356 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6037 -1.7024 2.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0768 -2.0678 1.2748 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7611 -3.3237 1.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 1.0669 0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -2.9785 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 -3.3495 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 -2.2197 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 -0.6423 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -2.0084 -2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 -0.6741 -2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 -0.5880 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 -1.1689 -3.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 0.5455 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3881 -0.4884 -4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 2.0146 -3.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 3.0171 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 1.4818 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 1.5004 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 2.3797 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 4.0997 -0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 3.8429 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 2.4066 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 3.9524 4.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 3.4521 3.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 5.1650 4.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 5.1921 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 5.9283 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 2.8414 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 2.5394 1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 0.5862 4.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9794 1.5873 3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -0.1626 3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -0.1459 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -0.1000 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -1.8877 3.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 -2.3888 3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -1.3378 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -4.0199 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 18 17 1 0 0 0 0 21 23 1 0 0 0 0 10 27 1 0 0 0 0 23 24 1 0 0 0 0 12 13 1 0 0 0 0 24 25 1 0 0 0 0 13 14 1 0 0 0 0 25 2 1 0 0 0 0 14 19 1 0 0 0 0 2 3 1 0 0 0 0 19 27 1 0 0 0 0 3 4 1 0 0 0 0 14 15 1 0 0 0 0 4 5 1 0 0 0 0 10 5 1 0 0 0 0 2 1 2 3 0 0 0 15 16 1 1 0 0 0 21 22 1 0 0 0 0 15 18 1 0 0 0 0 5 6 1 0 0 0 0 10 11 1 6 0 0 0 25 26 1 0 0 0 0 17 15 1 0 0 0 0 6 7 1 0 0 0 0 19 20 1 0 0 0 0 7 9 2 0 0 0 0 10 12 1 0 0 0 0 7 8 1 0 0 0 0 20 21 2 0 0 0 0 14 45 1 1 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 19 51 1 6 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 20 52 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 6 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 1 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 26 61 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 M END > <DATABASE_ID> NP0040334 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]1([H])C(=C([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(O[C@]([H])(\C([H])=C(C([H])([H])[H])/C([H])([H])C1([H])[H])[C@]([H])(C([H])([H])C2([H])[H])[C@@]1(OC1([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C22H34O5/c1-14-6-8-18(24)15(2)7-9-20(26-16(3)23)21(4)11-10-17(19(12-14)27-21)22(5)13-25-22/h12,17-20,24H,2,6-11,13H2,1,3-5H3/b14-12-/t17-,18+,19+,20-,21+,22+/m0/s1 > <INCHI_KEY> VPYGXGNFODMICW-FZEPFNNRSA-N > <FORMULA> C22H34O5 > <MOLECULAR_WEIGHT> 378.509 > <EXACT_MASS> 378.240624195 > <JCHEM_ACCEPTOR_COUNT> 4 > <JCHEM_ATOM_COUNT> 61 > <JCHEM_AVERAGE_POLARIZABILITY> 42.04531532943552 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 1 > <JCHEM_IUPAC> (1R,2S,6R,9Z,11R,12S)-6-hydroxy-1,9-dimethyl-5-methylidene-12-[(2S)-2-methyloxiran-2-yl]-15-oxabicyclo[9.3.1]pentadec-9-en-2-yl acetate > <ALOGPS_LOGP> 2.96 > <JCHEM_LOGP> 2.7867318286666656 > <ALOGPS_LOGS> -4.34 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 18.35960863273159 > <JCHEM_PKA_STRONGEST_BASIC> -1.3281871388959532 > <JCHEM_POLAR_SURFACE_AREA> 68.29 > <JCHEM_REFRACTIVITY> 103.87240000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 3 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.74e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (1R,2S,6R,9Z,11R,12S)-6-hydroxy-1,9-dimethyl-5-methylidene-12-[(2S)-2-methyloxiran-2-yl]-15-oxabicyclo[9.3.1]pentadec-9-en-2-yl acetate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)RDKit 3D 61 63 0 0 0 0 0 0 0 0999 V2000 -1.1557 -2.8653 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -2.1897 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 -1.5246 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -1.1064 -2.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8725 -0.1280 -1.4193 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8975 0.0791 -2.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -0.8161 -2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -0.4516 -3.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0489 -1.7791 -1.7116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 1.2770 -0.9704 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6396 1.9836 -2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 2.1103 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 3.3744 0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 3.0556 1.3830 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6134 4.2966 2.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6081 4.2125 3.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 5.3434 1.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 5.5454 1.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 2.2362 0.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1165 1.8364 1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 0.8040 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3403 0.6981 3.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0987 -0.2588 2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -1.7024 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0768 -2.0678 1.2748 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7611 -3.3237 1.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 1.0669 0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -2.9785 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 -3.3495 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 -2.2197 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 -0.6423 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -2.0084 -2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 -0.6741 -2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 -0.5880 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 -1.1689 -3.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 0.5455 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3881 -0.4884 -4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 2.0146 -3.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 3.0171 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 1.4818 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 1.5004 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 2.3797 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 4.0997 -0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 3.8429 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 2.4066 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 3.9524 4.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 3.4521 3.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 5.1650 4.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 5.1921 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 5.9283 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 2.8414 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 2.5394 1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 0.5862 4.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9794 1.5873 3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -0.1626 3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -0.1459 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -0.1000 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -1.8877 3.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 -2.3888 3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -1.3378 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -4.0199 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 18 17 1 0 21 23 1 0 10 27 1 0 23 24 1 0 12 13 1 0 24 25 1 0 13 14 1 0 25 2 1 0 14 19 1 0 2 3 1 0 19 27 1 0 3 4 1 0 14 15 1 0 4 5 1 0 10 5 1 0 2 1 2 3 15 16 1 1 21 22 1 0 15 18 1 0 5 6 1 0 10 11 1 6 25 26 1 0 17 15 1 0 6 7 1 0 19 20 1 0 7 9 2 0 10 12 1 0 7 8 1 0 20 21 2 0 14 45 1 1 17 49 1 0 17 50 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 19 51 1 6 16 46 1 0 16 47 1 0 16 48 1 0 11 38 1 0 11 39 1 0 11 40 1 0 20 52 1 0 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 25 60 1 6 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 1 1 28 1 0 1 29 1 0 22 53 1 0 22 54 1 0 22 55 1 0 26 61 1 0 8 35 1 0 8 36 1 0 8 37 1 0 M END PDB for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 -1.156 -2.865 0.434 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.010 -2.190 0.217 0.00 0.00 C+0 HETATM 3 C UNK 0 0.325 -1.525 -1.107 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.836 -1.106 -2.017 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.873 -0.128 -1.419 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.898 0.079 -2.430 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.922 -0.816 -2.453 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.889 -0.452 -3.538 0.00 0.00 C+0 HETATM 9 O UNK 0 -4.049 -1.779 -1.712 0.00 0.00 O+0 HETATM 10 C UNK 0 -1.333 1.277 -0.970 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.640 1.984 -2.151 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.532 2.110 -0.456 0.00 0.00 C+0 HETATM 13 C UNK 0 -2.113 3.374 0.287 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.085 3.056 1.383 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.613 4.297 2.137 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.608 4.213 3.636 0.00 0.00 C+0 HETATM 17 C UNK 0 0.250 5.343 1.452 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.150 5.545 1.662 0.00 0.00 O+0 HETATM 19 C UNK 0 0.073 2.236 0.771 0.00 0.00 C+0 HETATM 20 C UNK 0 1.117 1.836 1.790 0.00 0.00 C+0 HETATM 21 C UNK 0 1.167 0.804 2.659 0.00 0.00 C+0 HETATM 22 C UNK 0 2.340 0.698 3.606 0.00 0.00 C+0 HETATM 23 C UNK 0 0.099 -0.259 2.836 0.00 0.00 C+0 HETATM 24 C UNK 0 0.604 -1.702 2.690 0.00 0.00 C+0 HETATM 25 C UNK 0 1.077 -2.068 1.275 0.00 0.00 C+0 HETATM 26 O UNK 0 1.761 -3.324 1.339 0.00 0.00 O+0 HETATM 27 O UNK 0 -0.408 1.067 0.109 0.00 0.00 O+0 HETATM 28 H UNK 0 -1.920 -2.978 -0.330 0.00 0.00 H+0 HETATM 29 H UNK 0 -1.372 -3.349 1.381 0.00 0.00 H+0 HETATM 30 H UNK 0 0.966 -2.220 -1.667 0.00 0.00 H+0 HETATM 31 H UNK 0 0.950 -0.642 -0.932 0.00 0.00 H+0 HETATM 32 H UNK 0 -1.355 -2.008 -2.367 0.00 0.00 H+0 HETATM 33 H UNK 0 -0.422 -0.674 -2.938 0.00 0.00 H+0 HETATM 34 H UNK 0 -2.329 -0.588 -0.535 0.00 0.00 H+0 HETATM 35 H UNK 0 -5.715 -1.169 -3.543 0.00 0.00 H+0 HETATM 36 H UNK 0 -5.296 0.546 -3.352 0.00 0.00 H+0 HETATM 37 H UNK 0 -4.388 -0.488 -4.508 0.00 0.00 H+0 HETATM 38 H UNK 0 -1.280 2.015 -3.038 0.00 0.00 H+0 HETATM 39 H UNK 0 -0.368 3.017 -1.917 0.00 0.00 H+0 HETATM 40 H UNK 0 0.298 1.482 -2.412 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.116 1.500 0.247 0.00 0.00 H+0 HETATM 42 H UNK 0 -3.205 2.380 -1.278 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.706 4.100 -0.427 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.001 3.843 0.730 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.607 2.407 2.102 0.00 0.00 H+0 HETATM 46 H UNK 0 -1.605 3.952 4.008 0.00 0.00 H+0 HETATM 47 H UNK 0 0.097 3.452 3.982 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.321 5.165 4.094 0.00 0.00 H+0 HETATM 49 H UNK 0 0.578 5.192 0.432 0.00 0.00 H+0 HETATM 50 H UNK 0 0.936 5.928 2.053 0.00 0.00 H+0 HETATM 51 H UNK 0 0.607 2.841 0.030 0.00 0.00 H+0 HETATM 52 H UNK 0 1.950 2.539 1.811 0.00 0.00 H+0 HETATM 53 H UNK 0 1.988 0.586 4.637 0.00 0.00 H+0 HETATM 54 H UNK 0 2.979 1.587 3.578 0.00 0.00 H+0 HETATM 55 H UNK 0 2.966 -0.163 3.352 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.306 -0.146 3.850 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.755 -0.100 2.172 0.00 0.00 H+0 HETATM 58 H UNK 0 1.422 -1.888 3.397 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.186 -2.389 3.019 0.00 0.00 H+0 HETATM 60 H UNK 0 1.831 -1.338 0.963 0.00 0.00 H+0 HETATM 61 H UNK 0 1.089 -4.020 1.252 0.00 0.00 H+0 CONECT 1 2 28 29 CONECT 2 25 3 1 CONECT 3 2 4 30 31 CONECT 4 3 5 32 33 CONECT 5 4 10 6 34 CONECT 6 5 7 CONECT 7 6 9 8 CONECT 8 7 35 36 37 CONECT 9 7 CONECT 10 27 5 11 12 CONECT 11 10 38 39 40 CONECT 12 13 10 41 42 CONECT 13 12 14 43 44 CONECT 14 13 19 15 45 CONECT 15 14 16 18 17 CONECT 16 15 46 47 48 CONECT 17 18 15 49 50 CONECT 18 17 15 CONECT 19 14 27 20 51 CONECT 20 19 21 52 CONECT 21 23 22 20 CONECT 22 21 53 54 55 CONECT 23 21 24 56 57 CONECT 24 23 25 58 59 CONECT 25 24 2 26 60 CONECT 26 25 61 CONECT 27 10 19 CONECT 28 1 CONECT 29 1 CONECT 30 3 CONECT 31 3 CONECT 32 4 CONECT 33 4 CONECT 34 5 CONECT 35 8 CONECT 36 8 CONECT 37 8 CONECT 38 11 CONECT 39 11 CONECT 40 11 CONECT 41 12 CONECT 42 12 CONECT 43 13 CONECT 44 13 CONECT 45 14 CONECT 46 16 CONECT 47 16 CONECT 48 16 CONECT 49 17 CONECT 50 17 CONECT 51 19 CONECT 52 20 CONECT 53 22 CONECT 54 22 CONECT 55 22 CONECT 56 23 CONECT 57 23 CONECT 58 24 CONECT 59 24 CONECT 60 25 CONECT 61 26 MASTER 0 0 0 0 0 0 0 0 61 0 126 0 END 3D PDB for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)SMILES for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)[H]O[C@@]1([H])C(=C([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(O[C@]([H])(\C([H])=C(C([H])([H])[H])/C([H])([H])C1([H])[H])[C@]([H])(C([H])([H])C2([H])[H])[C@@]1(OC1([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)InChI=1S/C22H34O5/c1-14-6-8-18(24)15(2)7-9-20(26-16(3)23)21(4)11-10-17(19(12-14)27-21)22(5)13-25-22/h12,17-20,24H,2,6-11,13H2,1,3-5H3/b14-12-/t17-,18+,19+,20-,21+,22+/m0/s1 Structure for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+)3D Structure for NP0040334 ((+)-(1S,2R,7R,11S,12R,15S,3E)-11-acetoxy-2,12-oxa-15,17-epoxy-cembra-3,8(+) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C22H34O5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 378.5090 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 378.24062 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (1R,2S,6R,9Z,11R,12S)-6-hydroxy-1,9-dimethyl-5-methylidene-12-[(2S)-2-methyloxiran-2-yl]-15-oxabicyclo[9.3.1]pentadec-9-en-2-yl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (1R,2S,6R,9Z,11R,12S)-6-hydroxy-1,9-dimethyl-5-methylidene-12-[(2S)-2-methyloxiran-2-yl]-15-oxabicyclo[9.3.1]pentadec-9-en-2-yl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]O[C@@]1([H])C(=C([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(O[C@]([H])(\C([H])=C(C([H])([H])[H])/C([H])([H])C1([H])[H])[C@]([H])(C([H])([H])C2([H])[H])[C@@]1(OC1([H])[H])C([H])([H])[H])C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C22H34O5/c1-14-6-8-18(24)15(2)7-9-20(26-16(3)23)21(4)11-10-17(19(12-14)27-21)22(5)13-25-22/h12,17-20,24H,2,6-11,13H2,1,3-5H3/b14-12-/t17-,18+,19+,20-,21+,22+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | VPYGXGNFODMICW-FZEPFNNRSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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