(5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25,28-tetrol
[CAS# 104870-37-3]

Identification

• Name: (5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25,28-tetrol
• Synonyms: (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R,4R)-5-Hydroxy-4-(Hydroxymethyl)-1,5-Dimethyl-Hex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R,4R)-5-Hydroxy-4-(Hydroxymethyl)-1,5-Dimethylhex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R,4R)-5-Hydroxy-1,5-Dimethyl-4-Methylol-Hex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₈H₄₄O₄
• Molecular Weight: 444.65
• CAS Registry Number: 104870-37-3
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@@H](O)C[C@H](O)C2)=C)CC[C@@H]3[C@@H](\C=C\[C@@H](C(O)(C)C)CO)C)C
• InChI: 1S/C28H44O4/c1-18(8-11-22(17-29)27(3,4)32)24-12-13-25-20(7-6-14-28(24,25)5)9-10-21-15-23(30)16-26(31)19(21)2/h8-11,18,22-26,29-32H,2,6-7,12-17H2,1,3-5H3/b11-8+,20-9+,21-10-/t18-,22-,23-,24-,25+,26+,28-/m1/s1
• InChIKey: UHMSHZFVGABXAS-KIAAZJKISA-N

Properties

• Density: 1.114g/cm³ (Cal.)
• Boiling point: 620.799°C at 760 mmHg (Cal.)
• Flash point: 262.631°C (Cal.)