Try beta.chemspider
- Double-bond stereo
- 10 of 10 defined stereocentres
(3R,4S,6S,8S,10R,12R,14R,16S,17Z,19E,21E,23E,25E,27S,28R)-3-Butyl-4,6,8,10,12,16,27-heptahydroxy-17,28-dimethyl-2-oxooxacyclooctacosa-17,19,21,23,25-pentaen-14-yl 4-bromobenzenesulfonate - methanol (1 :1)
CCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C\C=C\C=C\C=C\C=C\[C@@H]([C@H](OC1=O)C)O)/C)O)OS(=O)(=O)c2ccc(cc2)Br)O)O)O)O)O.CO
InChI=1S/C39H57BrO12S.CH4O/c1-4-5-14-35-38(47)24-32(44)22-30(42)20-29(41)21-31(43)23-33(52-53(49,50)34-18-16-28(40)17-19-34)25-37(46)26(2)13-11-9-7-6-8-10-12-15-36(45)27(3)51-39(35)48;1-2/h6-13,15-19,27,29-33,35-38,41-47H,4-5,14,20-25H2,1-3H3;2H,1H3/b7-6+,10-8+,11-9+,15-12+,26-13-;/t27-,29-,30+,31-,32+,33-,35-,36+,37+,38+;/m1./s1
OVGDDIJTHBKVEH-SLZIMBDXSA-N
CSID:30653087, http://www.chemspider.com/Chemical-Structure.30653087.html (accessed 20:29, Jun 30, 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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