(1aR,3aalpha,7balpha)-Tetradecahydro-1balpha,9alpha-dihydroxy-4,7abeta-dimethyl-9abeta-(1-methylethyl)phenanthro[1,2-b]oxirene-4alpha-carboxylic acid methyl ester
[CAS# 34217-20-4]

Identification

• Name: (1aR,3aalpha,7balpha)-Tetradecahydro-1balpha,9alpha-dihydroxy-4,7abeta-dimethyl-9abeta-(1-methylethyl)phenanthro[1,2-b]oxirene-4alpha-carboxylic acid methyl ester
• Synonyms: Phenanthro[1,2-B]Oxirene-4-Carboxylic Acid, Tetradecahydro-1B,9-Dihydroxy-4,7A-Dimethyl-9A-(1-Methylethyl)-, Methyl Ester, [1Ar-(1A.Alpha.,1B.Beta.,3A.Beta.,4.Beta.,7A.Alpha.,7B.Beta.,9.Beta.,9A.Alpha.)]-
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.50
• CAS Registry Number: 34217-20-4
• SMILES: CC1(CCCC2(C)C1CCC3(C2CC(C4(C3O4)C(C)C)O)O)C(OC)=O
• InChI: 1S/C21H34O5/c1-12(2)21-15(22)11-14-18(3)8-6-9-19(4,17(23)25-5)13(18)7-10-20(14,24)16(21)26-21/h12-16,22,24H,6-11H2,1-5H3
• InChIKey: ZUPJCGMTNBLNGX-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 471.122°C at 760 mmHg (Cal.)
• Flash point: 157.243°C (Cal.)