Mrv1652309072217252D 33 37 0 0 1 0 999 V2000 0.1102 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -3.5665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2383 -3.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8898 -0.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5766 -3.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 -4.2178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1981 -5.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -4.5287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6667 -4.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 7 5 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 11 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 10 28 1 0 0 0 0 7 28 1 0 0 0 0 28 29 1 1 0 0 0 30 2 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 1 0 0 0 M END > NP0252033 > NP-MRD > C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C)[C@@H]1C[C@H]1C > InChI=1S/C29H46O4/c1-17(21-14-19(21)3)6-7-18(2)22-8-9-23-24-15-25(31)29(33)16-20(30)10-11-27(29,5)28(24,32)13-12-26(22,23)4/h15,17-23,30,32-33H,6-14,16H2,1-5H3/t17-,18-,19-,20+,21+,22-,23+,26-,27-,28-,29+/m1/s1 > DJTPDRQBXVXHCC-PKLUILQISA-N > C29H46O4 > 458.683 > 458.339609961 > 4 > 79 > 54.87925250707633 > 1 > 3 > 0 > 0 > (1R,2R,5S,7R,11R,14R,15R)-1,5,7-trihydroxy-2,15-dimethyl-14-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one > 4.836084489666664 > 0 > 5 > 0 > 13.793986270026085 > 12.477971676706655 > -2.7340581834503643 > 77.76 > 131.28599999999994 > 5 > 1 > (1R,2R,5S,7R,11R,14R,15R)-1,5,7-trihydroxy-2,15-dimethyl-14-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one > 0 > NP0252033 > (1r,3ar,5ar,7s,9ar,9br,11ar)-5a,7,9b-trihydroxy-9a,11a-dimethyl-1-[(2r,5r)-5-[(1r,2r)-2-methylcyclopropyl]hexan-2-yl]-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one $$$$