1,3-Dihydroxy-20-(3'-cyclopropylpropyl)-9,10-secopregna-5,7,10(19)-triene
[CAS# 120336-94-9]

Identification

• Name: 1,3-Dihydroxy-20-(3'-cyclopropylpropyl)-9,10-secopregna-5,7,10(19)-triene
• Synonyms: (1S,3R,5Z)-5-[(2E)-2-[(3As,7Ar)-1-[(1R)-4-Cyclopropyl-1-Methyl-Butyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(3As,7Ar)-1-[(1R)-4-Cyclopropyl-1-Methylbutyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(3As,7Ar)-1-[(2R)-5-Cyclopropylpentan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₇H₄₂O₂
• Molecular Weight: 398.63
• CAS Registry Number: 120336-94-9
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@H](O)C[C@@H](O)C2)=C)CCC3[C@@H](CCCC4CC4)C)C
• InChI: 1S/C27H42O2/c1-18(6-4-7-20-9-10-20)24-13-14-25-21(8-5-15-27(24,25)3)11-12-22-16-23(28)17-26(29)19(22)2/h11-12,18,20,23-26,28-29H,2,4-10,13-17H2,1,3H3/b21-11+,22-12-/t18-,23+,24?,25+,26-,27-/m1/s1
• InChIKey: BFWYIIVSVVDUMP-CAOZCZHMSA-N

Properties

• Density: 1.06g/cm³ (Cal.)
• Boiling point: 543.372°C at 760 mmHg (Cal.)
• Flash point: 231.325°C (Cal.)