Try beta.chemspider
- 27 of 27 defined stereocentres
1-[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11,12,14-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
O=C(C)[C@H]1CC[C@@]8(O)[C@]1(C)[C@H](O)[C@@H](O)[C@H]7[C@H]8C/C=C6/C[C@@H](O[C@@H]5O[C@H](C)[C@@H](O[C@@H]4O[C@H](C)[C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](OC)[C@H]3O)C)[C@@H](OC)C4)[C@@H](OC)C5)CC[C@@]67C
InChI=1S/C48H78O20/c1-20(50)26-13-15-48(57)27-11-10-24-16-25(12-14-46(24,5)33(27)35(52)43(56)47(26,48)6)64-31-17-28(58-7)39(21(2)61-31)66-32-18-29(59-8)40(22(3)62-32)67-45-38(55)42(60-9)41(23(4)63-45)68-44-37(54)36(53)34(51)30(19-49)65-44/h10,21-23,25-45,49,51-57H,11-19H2,1-9H3/t21-,22-,23-,25+,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+,47+,48+/m1/s1
VQYKTYLGTBPBEW-KXGANAKBSA-N
CSID:8805126, http://www.chemspider.com/Chemical-Structure.8805126.html (accessed 00:01, Apr 25, 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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