Try beta.chemspider
- Double-bond stereo
- 9 of 10 defined stereocentres
(2R,3R,4R,6S,7S,8S,10E,12S,13S,13aR)-2,4,13-Triacetoxy-3-(benzoyloxy)-7,13a-dihydroxy-6-(isobutyryloxy)-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annul en-8-yl nicotinate
CC1(C)C=C[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)C3C=CC=CC=3)C2[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@H]1OC(=O)C1C=NC=CC=1 |t:3|
InChI=1S/C43H53NO14/c1-23(2)38(49)55-34-25(4)33(53-26(5)45)31-36(56-39(50)29-15-12-11-13-16-29)42(10,58-28(7)47)22-43(31,52)35(54-27(6)46)24(3)18-19-41(8,9)37(32(34)48)57-40(51)30-17-14-20-44-21-30/h11-21,23-24,31-37,48,52H,4,22H2,1-3,5-10H3/b19-18+/t24-,31?,32+,33-,34-,35-,36+,37+,42+,43+/m0/s1
HCOFSOQJSKXVMH-IRKWTSOWSA-N
CSID:115015382, http://www.chemspider.com/Chemical-Structure.115015382.html (accessed 10:37, Jun 3, 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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