Synonyms |
KADSURACOCCINIC ACID A;1016260-22-2;(Z,6Z)-6-[(3aS,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-2,4,7,8,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-3-ylidene]-2-methylhept-2-enoic acid;CHEMBL515069;AKOS040761934;DA-64690;HY-113818;CS-0062920; |
IUPAC Name |
(Z,6Z)-6-[(3aS,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-2,4,7,8,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-3-ylidene]-2-methylhept-2-enoic acid |
Molecular Weight |
468.67 |
Molecular Formula |
C30H44O4 |
Canonical SMILES |
O=C(O)CC[C@@]1(C)[C@H](C(C)=C)CC[C@@](C1=CC[C@]/23C)([H])[C@]3(C)CCC2=C(C)\CC/C=C(C(O)=O)/C |
InChI |
InChI=1S/C30H44O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,22,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-,23-20-/t22-,25+,28-,29+,30-/m0/s1 |
InChIKey |
QOIBKZDJHBYYMX-AVNVPESYSA-N |
Purity |
97.0% |
Appearance |
Cryst. |
Storage |
Please store the product under the recommended conditions in the Certificate of Analysis. |