Mrv1652309122213572D 30 31 0 0 1 0 999 V2000 -2.5867 -2.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 -2.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 -3.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 -4.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7301 -3.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7301 -2.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5426 -3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0123 -2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 -2.4926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4030 -1.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8038 -1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4165 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8537 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2047 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3802 -0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 0.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6572 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 1.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 2.1214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5075 2.9284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1056 3.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 2.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4636 3.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 4.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 1.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6202 1.0595 0.0000 O 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 3 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 6 8 1 0 0 0 0 6 9 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 1 0 0 0 18 19 1 6 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 6 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 29 30 1 0 0 0 0 18 30 1 0 0 0 0 M END > NP0328463 > NP-MRD > COC(=O)[C@H](C)[C@H]1CC[C@](C)(CC\C=C(/C)CC[C@]2(O)C(=C)CCCC2(C)C)OO1 > InChI=1S/C25H42O5/c1-18(12-17-25(27)19(2)11-9-14-23(25,4)5)10-8-15-24(6)16-13-21(29-30-24)20(3)22(26)28-7/h10,20-21,27H,2,8-9,11-17H2,1,3-7H3/b18-10+/t20-,21-,24+,25+/m1/s1 > RZBOFZRCMWQHOO-HULIUYFXSA-N > C25H42O5 > 422.606 > 422.303224452 > 4 > 72 > 49.17886235713752 > 1 > 1 > 0 > 0 > methyl (2R)-2-[(3R,6S)-6-[(3E)-6-[(1R)-1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-en-1-yl]-6-methyl-1,2-dioxan-3-yl]propanoate > 5.626732025333332 > 0 > 2 > 0 > -0.2614118104249935 > 64.99000000000001 > 119.29149999999996 > 9 > 0 > methyl (2R)-2-[(3R,6S)-6-[(3E)-6-[(1R)-1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-en-1-yl]-6-methyl-1,2-dioxan-3-yl]propanoate > 0 > NP0328463 > methyl (2r)-2-[(3r,6s)-6-[(3e)-6-[(1r)-1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-en-1-yl]-6-methyl-1,2-dioxan-3-yl]propanoate $$$$