Mrv1652309122216252D 35 39 0 0 1 0 999 V2000 9.1619 4.5837 0.0000 C 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 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 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 7.3319 3.3939 0.0000 C 0 0 0 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 6.0083 2.8554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6974 3.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 3.7324 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 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 2 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 0.4372 -0.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 1.5048 0.0000 C 0 0 0 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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 9 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 6 0 0 0 23 24 1 0 0 0 0 21 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 28 29 1 0 0 0 0 20 29 1 0 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 17 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 12 34 1 0 0 0 0 15 34 1 0 0 0 0 34 35 1 1 0 0 0 M END > NP0329747 > NP-MRD > CC(C)(O)[C@@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)[C@@]4(C)CO > InChI=1S/C30H50O5/c1-25(2,35)23(33)9-6-19(16-31)20-10-12-28(5)22-8-7-21-26(3,18-32)24(34)11-13-29(21)17-30(22,29)15-14-27(20,28)4/h19-23,31-33,35H,6-18H2,1-5H3/t19-,20+,21-,22-,23-,26-,27+,28-,29+,30-/m0/s1 > CZFZDSXRUODOJQ-LQURIMJTSA-N > C30H50O5 > 490.725 > 490.36582471 > 5 > 85 > 58.3359723961524 > 1 > 4 > 0 > 0 > (1S,3R,7R,8R,11S,12S,15R,16R)-7-(hydroxymethyl)-7,12,16-trimethyl-15-[(2R,5S)-1,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-one > 3.331255230999999 > 1 > 5 > 0 > 14.833470095801026 > 13.81675118818104 > -1.4439073195353198 > 97.99000000000001 > 137.18489999999994 > 7 > 1 > (1S,3R,7R,8R,11S,12S,15R,16R)-7-(hydroxymethyl)-7,12,16-trimethyl-15-[(2R,5S)-1,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-one > 0 > NP0329747 > (1s,3r,7r,8r,11s,12s,15r,16r)-7-(hydroxymethyl)-7,12,16-trimethyl-15-[(2r,5s)-1,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one $$$$