Try beta.chemspider
- Double-bond stereo
- 3 of 5 defined stereocentres
Methyl (3S,4S,21R)-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylate
CCC\1=C(c2/cc\3/c(c(/c(/[nH]3)c/c4n/c(c/5\c6c(c(c([nH]6)/cc1\n2)C)C(=O)[C@@H]5C(=O)OC)/[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C=O
InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,59H,1,13-24,26H2,2-11H3/b34-25+,42-27-,43-27-,44-28-,45-29-,46-28-,47-29-,52-50-/t32?,33?,36-,40-,51+/m0/s1
ZQGOYEJYAYJFTL-JCUCQJQDSA-N
CSID:23327652, http://www.chemspider.com/Chemical-Structure.23327652.html (accessed 07:56, May 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
Click to predict properties on the Chemicalize site
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