Mrv1652309092205302D 40 42 0 0 1 0 999 V2000 0.1752 5.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4864 4.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 4.9522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3402 5.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 6.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 6.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7594 5.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 4.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8094 3.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 3.3134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7644 2.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 2.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5862 1.8264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9911 1.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -0.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0463 1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7914 1.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 2.5337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4715 2.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 2.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 2.9462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9004 3.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6149 2.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3294 2.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6149 1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.9970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4657 3.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8743 4.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 4.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 5.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 3.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3902 3.8064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5923 2.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 3.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2256 2.4827 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 3 4 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 22 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 32 37 1 0 0 0 0 37 2 1 1 0 0 0 10 37 1 0 0 0 0 31 38 1 0 0 0 0 18 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 M END > NP0278467 > NP-MRD > CC(O)[C@H](C)C(=O)O[C@H]1CC(C)=C2[C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@H]3[C@H](OC(C)=O)[C@H]1C2(C)C)OC(C)=O > InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18?,22-,23-,24-,26-,27-,28-,31-/m0/s1 > FMPIEMVVEJGMCY-UJMFWCJWSA-N > C31H46O9 > 562.7 > 562.314183061 > 5 > 86 > 59.57233497571839 > 1 > 1 > 0 > 0 > (1S,2S,3S,5S,8S,10S,14S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-14-yl (2S)-3-hydroxy-2-methylbutanoate > 2.8813809406666677 > 1 > 3 > 0 > 15.027480528833948 > -2.78678001668803 > 125.43 > 146.27600000000004 > 10 > 0 > (1S,2S,3S,5S,8S,10S,14S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-14-yl (2S)-3-hydroxy-2-methylbutanoate > 0 > NP0278467 > (1s,2s,3s,5s,8s,10s,14s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl (2s)-3-hydroxy-2-methylbutanoate $$$$