Try beta.chemspider
- 18 of 19 defined stereocentres
(3beta,5xi,18alpha,20beta)-3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-xylopyranosyl]oxy}-19-hydroxyurs-12-en-28-oic acid
CC1(C)C2CC[C@]3(C)[C@H](CC=C4[C@@H]5[C@@](CC[C@@]34C)(CC[C@H](C)[C@@]5(C)O)C(O)=O)[C@@]2(C)CC[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI=1S/C41H66O13/c1-20-10-15-41(35(48)49)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-34-31(27(44)22(43)19-51-34)54-33-30(47)29(46)28(45)23(18-42)52-33/h8,20,22-34,42-47,50H,9-19H2,1-7H3,(H,48,49)/t20-,22+,23+,24?,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,37-,38+,39+,40+,41-/m0/s1
WBDDWIKJZNNKBQ-NIJBBWQJSA-N
CSID:128910474, http://www.chemspider.com/Chemical-Structure.128910474.html (accessed 13:50, Jun 14, 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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