Mrv1652309042209102D 35 39 0 0 1 0 999 V2000 5.6974 3.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 2.8554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8256 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 3.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 3.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4601 2.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6555 3.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1619 4.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 4.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3069 3.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 2.2041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7313 1.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 1.4549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1995 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5166 0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 1.3097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3047 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.0193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1486 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 1.5048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1953 1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 2.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 1.7952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5214 2.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 1.9404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3335 2.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 2.2309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0373 2.9732 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 11 2 1 1 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 6 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 21 29 1 0 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 18 31 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 11 34 1 0 0 0 0 14 34 1 0 0 0 0 34 35 1 1 0 0 0 M END > NP0190495 > NP-MRD > C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(O)=O > InChI=1S/C30H50O5/c1-18(7-10-23(32)26(4,5)35)19-11-14-30(24(33)34)21-9-8-20-25(2,3)22(31)12-13-28(20)17-29(21,28)16-15-27(19,30)6/h18-23,31-32,35H,7-17H2,1-6H3,(H,33,34)/t18-,19-,20+,21-,22+,23-,27-,28-,29+,30+/m1/s1 > WDJQHANSLSJHNN-XEPWAXDFSA-N > C30H50O5 > 490.725 > 490.36582471 > 5 > 85 > 58.12892869692941 > 1 > 4 > 0 > 0 > (1S,3R,6S,8R,11R,12R,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-6-hydroxy-7,7,16-trimethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-12-carboxylic acid > 4.598916167666668 > 1 > 5 > -1 > 13.849642782223832 > 4.474005528570546 > -0.8351347552418286 > 97.99000000000001 > 136.09799999999998 > 6 > 1 > (1S,3R,6S,8R,11R,12R,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-6-hydroxy-7,7,16-trimethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-12-carboxylic acid > 0 > NP0190495 > (1s,3r,6s,8r,11r,12r,15r,16r)-15-[(2r,5r)-5,6-dihydroxy-6-methylheptan-2-yl]-6-hydroxy-7,7,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-12-carboxylic acid $$$$