- 14 of 17 defined stereocentres
(3beta,8xi,9xi,14xi,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-deoxy-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-2-(methoxycarbonyl)-alpha-L-arabinopyranoside
O=C(CCC(C)C)[C@@H](C)[C@]5(O)[C@@]6(C)CCC1[C@@]7(C(=C/CC1C6C[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)cc2)[C@H]4C(=O)OC)\C[C@@H](O)CC7)C
InChI=1S/C47H68O15/c1-24(2)8-15-33(49)25(3)47(55)36(21-32-30-14-11-27-20-28(48)16-18-45(27,4)31(30)17-19-46(32,47)5)60-43-37(42(54)57-7)39(35(51)23-58-43)62-44-40(38(52)34(50)22-59-44)61-41(53)26-9-12-29(56-6)13-10-26/h9-13,24-25,28,30-32,34-40,43-44,48,50-52,55H,8,14-23H2,1-7H3/t25-,28+,30?,31?,32?,34-,35+,36+,37+,38+,39+,40-,43+,44+,45+,46+,47-/m1/s1
YCUCKJKPEODOEM-CCEHEQJDSA-N
CSID:8254887, http://www.chemspider.com/Chemical-Structure.8254887.html (accessed 18:21, Mar 28, 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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