Mrv1652309122212552D 41 46 0 0 0 0 999 V2000 7.4687 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5288 2.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1403 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 0.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1595 2.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 2.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 3.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5828 3.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8311 3.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 4.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 5.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 5.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 6.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0793 4.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 3.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 33 39 1 0 0 0 0 29 40 1 0 0 0 0 17 40 1 0 0 0 0 12 40 1 0 0 0 0 40 41 1 0 0 0 0 M END > NP0327920 > NP-MRD > CC(=C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(O)C(=C)C3C(O)C(OC(=O)C3=CC=C(O)C=C3)C12C > InChI=1S/C36H50O5/c1-20(2)24-14-17-33(4)25(24)15-19-35(6)27(33)12-13-28-34(5)18-16-26(38)21(3)29(34)30(39)31(36(28,35)7)41-32(40)22-8-10-23(37)11-9-22/h8-11,24-31,37-39H,1,3,12-19H2,2,4-7H3 > FKBMDXDGRZSAQH-UHFFFAOYSA-N > C36H50O5 > 562.791 > 562.36582471 > 4 > 91 > 65.1289675092452 > 0 > 3 > 0 > 0 > 17,20-dihydroxy-1,2,9,14-tetramethyl-18-methylidene-6-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-21-yl 4-hydroxybenzoate > 6.764327133 > 0 > 6 > 0 > 13.759242810118227 > 8.494246455941095 > -2.9649361342616167 > 86.99 > 160.81359999999995 > 4 > 0 > 17,20-dihydroxy-1,2,9,14-tetramethyl-18-methylidene-6-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-21-yl 4-hydroxybenzoate > 0 > NP0327920 > 7,9-dihydroxy-5a,5b,11a,13b-tetramethyl-8-methylidene-3-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-6-yl 4-hydroxybenzoate $$$$