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Butanedioic acid, mono((2E)-5-((1S,4aR,5S,8aR)-5-carboxydecahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl) ester

HCID 6440366
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
90374-86-0
Standard SMILES
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O
InChIKey
UNLBVDZKMBYCGV-RQDSQJSGSA-N
Molecular formula
C24H36O6
Average molar mass
420.5 g/mol
Monoisotopic mass
420.25118886

Overview

Butanedioic acid, mono((2E)-5-((1S,4aR,5S,8aR)-5-carboxydecahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl) ester has been reported in Pinus ponderosa with data available.

Names & identifiers

Preferred name
Butanedioic acid, mono((2E)-5-((1S,4aR,5S,8aR)-5-carboxydecahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl) ester
IUPAC
(1S,4aR,5S,8aR)-5-[(E)-5-(3-carboxypropanoyloxy)-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

Names & synonyms

90374-86-0Butanedioic acid, mono((2E)-5-((1S,4aR,5S,8aR)-5-carboxydecahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl) ester

Database identifiers

CAS
90374-86-0
PubChem CID
6440366
Nikkaji
J387.837F

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
30
Formal charge
0
Complexity
723

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Compound notes

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