Try beta.chemspider
- 11 of 11 defined stereocentres
(6R)-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid - acrylonitrile (1:1)
C[C@H](CCCCC(=O)O)[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(CC[C@H](C4)O)C)O)O)C.C=CC#N
InChI=1S/C26H44O5.C3H3N/c1-15(6-4-5-7-23(30)31)18-8-9-19-24-20(14-22(29)26(18,19)3)25(2)11-10-17(27)12-16(25)13-21(24)28;1-2-3-4/h15-22,24,27-29H,4-14H2,1-3H3,(H,30,31);2H,1H2/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
QXSKNTAZTMMVKX-IZYKLYLVSA-N
CSID:30660547, http://www.chemspider.com/Chemical-Structure.30660547.html (accessed 07:24, Jun 29, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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