Try beta.chemspider
- Double-bond stereo
- 8 of 11 defined stereocentres
(3beta,5xi,9xi,16alpha,18xi,21beta,22alpha)-3,16-Dihydroxy-28-oxo-22-{[(2E)-3-phenyl-2-propenoyl]oxy}olean-12-en-21-yl (2Z)-2-methyl-2-butenoate
C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C2CC1(C)C)C)O)C=O)OC(=O)/C=C/c6ccccc6
InChI=1S/C44H60O7/c1-10-27(2)38(49)51-36-37(50-35(48)19-16-28-14-12-11-13-15-28)44(26-45)30(24-39(36,3)4)29-17-18-32-41(7)22-21-33(46)40(5,6)31(41)20-23-42(32,8)43(29,9)25-34(44)47/h10-17,19,26,30-34,36-37,46-47H,18,20-25H2,1-9H3/b19-16+,27-10-/t30?,31?,32?,33-,34+,36-,37-,41-,42+,43+,44-/m0/s1
RNGVHSVFPINIAC-XSCJIGAYSA-N
CSID:23244595, http://www.chemspider.com/Chemical-Structure.23244595.html (accessed 00:44, Apr 27, 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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