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- Double-bond stereo
- 8 of 9 defined stereocentres
(3beta,18xi)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-23-oxoolean-12-en-28-oic acid
O=C(O)[C@]36C(C\2=C\C[C@@H]1[C@@]5([C@@H](CC[C@]1([C@]/2(C)CC3)C)[C@@](C=O)(C)[C@@H](OC(=O)\C=C\c4ccc(O)c(O)c4)CC5)C)CC(C)(C)CC6
InChI=1S/C39H52O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)25(26(39)22-34)9-11-30-35(3)15-14-31(36(4,23-40)29(35)13-16-38(30,37)6)46-32(43)12-8-24-7-10-27(41)28(42)21-24/h7-10,12,21,23,26,29-31,41-42H,11,13-20,22H2,1-6H3,(H,44,45)/b12-8+/t26?,29-,30-,31+,35+,36+,37-,38-,39+/m1/s1
AHBPCOFKOXFFRY-BDHSRQAASA-N
CSID:8465609, http://www.chemspider.com/Chemical-Structure.8465609.html (accessed 07:29, May 11, 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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