- 11 of 11 defined stereocentres
(2S,3aS,4S,4aR,5S,6S,8S,8aS,10R)-6,10-Diacetoxy-2-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-5,8-dihydroxy-5-(hydroxymethyl)-3a-isopropenyl-1,8a-dimethyl-9-oxo-2,3,3a,4,4a,5,6,7,8,8a, 9,10-dodecahydrobenzo[f]azulen-4-yl benzoate
O=C(c1ccccc1)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O[C@@H]5/C(=C4/[C@@H](OC(=O)C)C(=O)[C@@]6(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]4(C(=C)\C)C5)[C@](O)(CO)[C@@H](OC(=O)C)C[C@@H]6O)C
InChI=1S/C47H51NO14/c1-25(2)46-23-32(61-44(57)37(53)36(29-16-10-7-11-17-29)48-42(55)30-18-12-8-13-19-30)26(3)35(46)38(60-28(5)51)40(54)45(6)33(52)22-34(59-27(4)50)47(58,24-49)39(45)41(46)62-43(56)31-20-14-9-15-21-31/h7-21,32-34,36-39,41,49,52-53,58H,1,22-24H2,2-6H3,(H,48,55)/t32-,33-,34-,36-,37+,38+,39-,41-,45+,46-,47-/m0/s1
QUZKZUPVKUEFEK-BQQHSADWSA-N
CSID:8638692, http://www.chemspider.com/Chemical-Structure.8638692.html (accessed 21:21, Apr 17, 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
Advertisement
Spotlight