Try beta.chemspider
- 9 of 10 defined stereocentres
Methyl (5beta,7alpha,12alpha,20xi)-7,12-bis(benzoyloxy)-3-oxocholan-24-oate
CC(CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)OC(=O)c5ccccc5)OC(=O)c6ccccc6)C
InChI=1S/C39H48O7/c1-24(15-18-34(41)44-4)29-16-17-30-35-31(23-33(39(29,30)3)46-37(43)26-13-9-6-10-14-26)38(2)20-19-28(40)21-27(38)22-32(35)45-36(42)25-11-7-5-8-12-25/h5-14,24,27,29-33,35H,15-23H2,1-4H3/t24?,27-,29+,30-,31-,32+,33-,35-,38-,39+/m0/s1
PBFPOGTVDCJJQR-JVKQPKAXSA-N
CSID:58987130, http://www.chemspider.com/Chemical-Structure.58987130.html (accessed 13:11, 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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