Try beta.chemspider
- 9 of 9 defined stereocentres
(3beta,5beta,7beta,12beta)-3,7,12-Trihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oic acid
CC1(C)[C@H]2C[C@H](O)C3=C(C(=O)[C@@H](O)[C@]4(C)[C@H](CC(=O)[C@]43C)[C@H](C)CCC(O)=O)[C@@]2(C)CC[C@@H]1O
InChI=1S/C27H40O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-17,23,28-29,34H,7-12H2,1-6H3,(H,31,32)/t13-,14-,15+,16-,17+,23-,25+,26+,27+/m1/s1
XIMQDJNNBMWDIH-VHPIRQCPSA-N
CSID:82963993, http://www.chemspider.com/Chemical-Structure.82963993.html (accessed 22:31, May 21, 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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