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Structure

Kadsuracoccinic Acid A

CAS
1016260-22-2
Catalog Number
ACM1016260222
Category
Other Products
Molecular Weight
468.7
Molecular Formula
C30H44O4

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Specification

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
Canonical SMILES
CC(=C)C1CCC2C(=CCC3(C2(CCC3=C(C)CCC=C(C)C(=O)O)C)C)C1(C)CCC(=O)O
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
InChI Key
QOIBKZDJHBYYMX-AVNVPESYSA-N
Density
5mg 10mg 20 mg
Appearance
Powder
Physical Description
Powder
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