25-Hydroxydihydrotachysterol(2)
[CAS# 98830-20-7]

Identification

• Name: 25-Hydroxydihydrotachysterol(2)
• Synonyms: (1S,3E,4S)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R,4S)-5-Hydroxy-1,4,5-Trimethyl-Hex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methyl-Cyclohexan-1-Ol; (1S,3E,4S)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R,4S)-5-Hydroxy-1,4,5-Trimethylhex-2-E
• Molecular Formula: C₂₈H₄₆O₂
• Molecular Weight: 414.67
• CAS Registry Number: 98830-20-7
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C2\[C@H](CC[C@H](O)C2)C)CC[C@@H]3[C@@H](\C=C\[C@@H](C(O)(C)C)C)C)C
• InChI: 1S/C28H46O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,19-21,24-26,29-30H,7-8,10,14-18H2,1-6H3/b11-9+,22-12+,23-13+/t19-,20+,21-,24-,25+,26-,28+/m0/s1
• InChIKey: CJYKTRYRFPHSGB-NSPQWHJASA-N

Properties

• Density: 1.051g/cm³ (Cal.)
• Boiling point: 537.011°C at 760 mmHg (Cal.)
• Flash point: 222.112°C (Cal.)