Try beta.chemspider
- Double-bond stereo
- 10 of 10 defined stereocentres
(1S,2R,4aS,4bR,6aR,7R,8R,9R,10aR,10bR)-1,9-Dihydroxy-7-(hydroxymethyl)-3',3',4a,4b,7,10a-hexamethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-tetradecahydro-1H-spiro[chrysene-2,1'-cyclopentan]-8-yl (2E)-3- (3,4-dihydroxyphenyl)acrylate
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@]5([C@@H]4O)CCC(C5)(C)C)C)(C[C@H]([C@@H]([C@@]3(C)CO)OC(=O)/C=C/c6ccc(c(c6)O)O)O)C
InChI=1S/C38H54O7/c1-33(2)15-17-38(21-33)18-16-36(5)24(31(38)44)9-11-29-34(3)20-27(42)32(35(4,22-39)28(34)13-14-37(29,36)6)45-30(43)12-8-23-7-10-25(40)26(41)19-23/h7-10,12,19,27-29,31-32,39-42,44H,11,13-18,20-22H2,1-6H3/b12-8+/t27-,28-,29-,31-,32+,34+,35+,36-,37-,38-/m1/s1
NLFLJRYMGRWUDD-ACCOSBQHSA-N
CSID:31128268, http://www.chemspider.com/Chemical-Structure.31128268.html (accessed 04:31, 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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