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- Double-bond stereo
- 22 of 22 defined stereocentres
(3beta,16beta,20R)-16-[(2-O-Acetyl-3-O-{2-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-xylopyranosyl}-alpha-L-arabinopyranosyl)oxy]-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranoside
C[C@@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)OC(=O)/C=C/c8ccccc8)OC(=O)C)O
InChI=1S/C54H78O19/c1-27(2)12-16-36(57)28(3)54(65)40(23-35-33-15-14-31-22-32(18-20-52(31,5)34(33)19-21-53(35,54)6)69-49-45(64)44(63)43(62)39(24-55)70-49)71-51-48(68-29(4)56)46(38(59)26-67-51)73-50-47(42(61)37(58)25-66-50)72-41(60)17-13-30-10-8-7-9-11-30/h7-11,13-14,17,27-28,32-35,37-40,42-51,55,58-59,61-65H,12,15-16,18-26H2,1-6H3/b17-13+/t28-,32-,33+,34-,35-,37+,38-,39+,40-,42-,43+,44-,45+,46-,47+,48+,49+,50-,51-,52-,53-,54+/m0/s1
XPJVFNVOMZCPBQ-QLOXOBCISA-N
CSID:29367959, http://www.chemspider.com/Chemical-Structure.29367959.html (accessed 21:02, Apr 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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