Basic information
- CAS
3872-98-8- Standard SMILES
COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)CC3CCC12- InChIKey
FJHHBOWEISXQJX-BXGJLEAFSA-N- Molecular formula
- C21H36O2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.27153039
Names & identifiers
- Preferred name
- Methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
- IUPAC
- methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
- English name
- 1-Phenanthrenecarboxylic acid, tetradecahydro-1, 4a-dimethyl-7- (1-met hylethyl)-, methyl ester, [1R-(1.alpha., 4a.beta.,4b.alpha.,7.alpha.,8 a.beta.,10a.alpha.)]-
- Molecular formula
- C21H36O2
- Molecular weight
- 320.52
Names & synonyms
Podocarpan-15-oic acid, 13-isopropyl-, methyl ester3872-98-8methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylateSCHEMBL22981970FJHHBOWEISXQJX-UHFFFAOYSA-NNSC126264NSC-126264SY234545NS000487051-Phenanthrenecarboxylic acid,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,8a.beta.,10a.alpha.)]-methyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1α,4aβ,4bα,7α,8aβ,10aα)]- (9CI)
Show more names
1-Phenanthrenecarboxylic acid, tetradecahydro-1, 4a-dimethyl-7- (1-met hylethyl)-, methyl ester, [1R-(1.alpha., 4a.beta.,4b.alpha.,7.alpha.,8 a.beta.,10a.alpha.)]-
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 351.9 · 351.9±10.0 °C(Predicted)
- Density
- 0.961 · 0.961±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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