Mrv1652309052222042D 36 39 0 0 1 0 999 V2000 -0.8225 -0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 -1.3868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8120 -0.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -2.1509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1102 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -2.2638 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 2 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 2 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 2 0 0 0 0 0 0 0 0 0 4.3708 -0.9394 0.0000 O 0 0 0 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 2 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 2 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 2 0 0 0 0 0 0 0 0 0 8.2049 -3.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -3.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2974 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 -3.6824 0.0000 O 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 2 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 5.2368 -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 1 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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 11 9 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 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 18 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 20 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 16 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 11 35 1 0 0 0 0 14 35 1 0 0 0 0 35 36 1 6 0 0 0 M END > NP0219166 > NP-MRD > CC[C@H](C)[C@H](C)\C=C\[C@H](C)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](C[C@@]4(C)[C@@H]3CC[C@@]12C)OC(C)=O > InChI=1S/C31H48O5/c1-8-18(2)19(3)9-10-20(4)22-12-14-31(35)24-15-26(33)25-16-27(34)28(36-21(5)32)17-29(25,6)23(24)11-13-30(22,31)7/h9-10,15,18-20,22-23,25,27-28,34-35H,8,11-14,16-17H2,1-7H3/b10-9+/t18-,19+,20-,22-,23+,25-,27-,28+,29-,30-,31-/m0/s1 > SJXBNURQPWXYGT-CZHIETDESA-N > C31H48O5 > 500.72 > 500.350174646 > 4 > 84 > 59.50676920623479 > 0 > 2 > 0 > 0 > (1S,2S,4R,5S,7R,11R,14S,15S)-14-[(2S,3E,5S,6S)-5,6-dimethyloct-3-en-2-yl]-5,11-dihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-4-yl acetate > 5.281879236666667 > 1 > 4 > 0 > 14.30361711095809 > 13.62611811966579 > -3.1712298427094705 > 83.83000000000001 > 143.41379999999998 > 7 > 0 > (1S,2S,4R,5S,7R,11R,14S,15S)-14-[(2S,3E,5S,6S)-5,6-dimethyloct-3-en-2-yl]-5,11-dihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-4-yl acetate > 0 > NP0219166 > (1s,3ar,5ar,7s,8r,9as,9bs,11as)-1-[(2s,3e,5s,6s)-5,6-dimethyloct-3-en-2-yl]-3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-8-yl acetate $$$$