Try beta.chemspider
- 8 of 9 defined stereocentres
(3beta,5alpha,7beta,12beta)-12-Acetoxy-3,7,20-trihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oic acid
O=C(O)CCC(O)(C)[C@@H]1[C@]2([C@H](OC(=O)C)C(=O)\C3=C(/[C@@]2(C(=O)C1)C)[C@@H](O)C[C@@H]4[C@]3(C)CC[C@H](O)C4(C)C)C
InChI=1S/C29H42O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h15-18,24,31-32,37H,8-13H2,1-7H3,(H,34,35)/t15-,16-,17+,18-,24+,26-,27?,28-,29-/m0/s1
FFMHRFMHJKVBHE-OOLUJHIHSA-N
CSID:9366927, http://www.chemspider.com/Chemical-Structure.9366927.html (accessed 15:07, Jul 7, 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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