Try beta.chemspider
- 17 of 17 defined stereocentres
(3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(3,4-dimethoxybenzoyl)-beta-D-xylopyranosyl]-beta-L-arabinopyranoside
O=C(CCC(C)C)[C@@H](C)[C@]5(O)[C@@]6(C)CC[C@@H]1[C@@]7(C(=C/C[C@H]1[C@@H]6C[C@@H]5O[C@H]4OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c2ccc(OC)c(OC)c2)[C@H]4OC(=O)C)\C[C@@H](O)CC7)C
InChI=1S/C48H70O16/c1-24(2)9-13-33(51)25(3)48(56)38(21-32-30-12-11-28-20-29(50)15-17-46(28,5)31(30)16-18-47(32,48)6)62-45-42(61-26(4)49)40(35(53)23-60-45)64-44-41(39(54)34(52)22-59-44)63-43(55)27-10-14-36(57-7)37(19-27)58-8/h10-11,14,19,24-25,29-32,34-35,38-42,44-45,50,52-54,56H,9,12-13,15-18,20-23H2,1-8H3/t25-,29+,30-,31+,32+,34-,35+,38+,39+,40+,41-,42-,44+,45-,46+,47+,48-/m1/s1
KQJXNSWVFJLYMH-XEZGYENGSA-N
CSID:7987279, http://www.chemspider.com/Chemical-Structure.7987279.html (accessed 02:17, 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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