Try beta.chemspider
- 28 of 30 defined stereocentres
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid
O=C(O)[C@H]9O[C@@H](O[C@H]5CC[C@]4(C)C6C/C=C3/[C@@H]2CC(C)(C)C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@]2(C)CC[C@@]3(C)[C@]6(C)CCC4[C@@]5(C)CO)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@@H](O)[C@@H]9O
InChI=1S/C54H88O22/c1-22-31(57)34(60)39(65)45(69-22)73-30-19-49(3,4)18-25-24-10-11-28-51(6)14-13-29(52(7,21-56)27(51)12-15-54(28,9)53(24,8)17-16-50(25,30)5)72-48-43(38(64)37(63)41(74-48)44(67)68)76-47-42(36(62)33(59)26(20-55)71-47)75-46-40(66)35(61)32(58)23(2)70-46/h10,22-23,25-43,45-48,55-66H,11-21H2,1-9H3,(H,67,68)/t22-,23-,25-,26+,27?,28?,29-,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,45-,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1
JVMAPBJQCGSNSC-BBWSOCNLSA-N
CSID:8549389, http://www.chemspider.com/Chemical-Structure.8549389.html (accessed 02:54, Apr 29, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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