| SpectraBase Spectrum ID |
7zwGNZRunD7 |
| Name |
3,4-Secolupa-4(23),20(29)-dien-3-oic acid, methyl ester |
| CAS Registry Number |
1179-91-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H50O2 |
| InChI |
InChI=1S/C31H50O2/c1-20(2)22-12-15-28(5)18-19-30(7)24(27(22)28)10-11-25-29(6,16-14-26(32)33-9)23(21(3)4)13-17-31(25,30)8/h22-25,27H,1,3,10-19H2,2,4-9H3/t22-,23-,24-,25+,27-,28+,29-,30+,31+/m0/s1 |
| InChIKey |
QSMKZPFEDLONIK-KUACQQHTSA-N |
| Molecular Weight |
454.739 g/mol |
| SMILES |
[C@@]12([C@]3([C@]([C@](CCC(=O)OC)(C)[C@@](CC3)(C(=C)C)[H])([H])CC[C@]1([C@@]1([C@](C(=C)C)(CC[C@@]1(CC2)C)[H])[H])[H])C)C |
| SPLASH |
splash10-00xr-0009300000-63bdcb1a71af24344c2f |
| Source of Spectrum |
O-10-982-1 |
| Synonyms |
Methyl 3-[(3alpha,4beta,5beta,9beta,10alpha,13alpha,15beta)-3,15-diisopropenyl-4,9-dimethylandrostan-4-yl]propanoate
Methyl canarate |
| Wiley ID |
1388931 |
