Try beta.chemspider
- Double-bond stereo
- 5 of 6 defined stereocentres
(3S,3'S,5R,5'R,8S,9cis)-3,5'-Dihydroxy-6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-beta,beta-caroten-3'-yl acetate
O=C(O[C@H]3CC(\C(=C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\[C@H]/1O[C@]2(C(=C\1)\C(C[C@H](O)C2)(C)C)C)C)C)C)C)[C@@](O)(C)C3)(C)C)C
InChI=1S/C42H58O5/c1-29(18-14-19-31(3)22-23-37-40(8,9)27-35(46-33(5)43)28-41(37,10)45)16-12-13-17-30(2)20-15-21-32(4)36-24-38-39(6,7)25-34(44)26-42(38,11)47-36/h12-22,24,34-36,44-45H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,36-,41+,42+/m0/s1
KXMXJSVCINTGDB-RLVGFWOGSA-N
CSID:8434103, http://www.chemspider.com/Chemical-Structure.8434103.html (accessed 16:38, 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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