Basic information
- CAS
13902-83-5- Standard SMILES
C=C1CCC2C(C)(C(=O)OC)CCCC2(C)C1CCC(C)CC(=O)OC- InChIKey
MMEXTNDBWOEMTB-UHFFFAOYSA-N- Molecular formula
- C22H36O4
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.26135963
Names & identifiers
- Preferred name
- Methyl decahydro-5-(methoxycarbonyl)-beta,5,8a-trimethyl-2-methylene-1-naphthalenepentanoate
- IUPAC
- methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
- English name
- (5β,9α,10α)-Labd-8(17)-ene-15,19-dioic acid dimethyl ester
- Molecular formula
- C22H36O4
- Molecular weight
- 364.51884
Names & synonyms
13902-83-5RefChem:356626Methyl decahydro-5-(methoxycarbonyl)-beta,5,8a-trimethyl-2-methylene-1-naphthalenepentanoateLabd-8(20)-ene-15,18-dioic acid, dimethyl ester, (13R)-MMEXTNDBWOEMTB-UHFFFAOYSA-NDTXSID501123333methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate1-Naphthalenepentanoic acid, decahydro-5-(methoxycarbonyl)-.beta.,5,8a-trimethyl-2-methylene-, methyl ester, [1S-[1.alpha.(S*),4a.beta.,5.beta.,8a.alpha.]]-Methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate #Methyl decahydro-5-(methoxycarbonyl)-I(2),5,8a-trimethyl-2-methylene-1-naphthalenepentanoate(5β,9α,10α)-Labd-8(17)-ene-15,19-dioic acid dimethyl ester
Database identifiers
- CAS
13902-83-5- PubChem CID
- 577915
- DTXSID
DTXSID501123333
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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