Try beta.chemspider
- 27 of 29 defined stereocentres
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,10S,12aR)-1-hydroxy-10-[(2R,3R,4S,5S)-5-hydroxy-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetrahydropyran-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]98CC[C@@]2(/C(=C\C[C@H]7[C@@]2(C)CCC6[C@]7(C)CC[C@H](O[C@H]5OC[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]5O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C6(C)C)C8[C@@](O)(C)[C@H](C)CC9)C
InChI=1S/C53H86O23/c1-22-10-15-53(47(67)76-45-39(66)36(63)33(60)27(20-56)72-45)17-16-50(5)23(42(53)52(22,7)68)8-9-29-49(4)13-12-30(48(2,3)28(49)11-14-51(29,50)6)73-46-41(75-44-38(65)35(62)32(59)26(19-55)71-44)40(24(57)21-69-46)74-43-37(64)34(61)31(58)25(18-54)70-43/h8,22,24-46,54-66,68H,9-21H2,1-7H3/t22-,24+,25-,26-,27-,28?,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41-,42?,43+,44+,45+,46-,49+,50-,51-,52-,53+/m1/s1
JAWUKHLXDDSSKK-ZDBGCDSJSA-N
CSID:8164344, http://www.chemspider.com/Chemical-Structure.8164344.html (accessed 13:16, May 13, 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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