(3R,4R,5aS,7S,10S,12S,13aS,14R)-2,3,4,5,6,7,9,10,11,12,13,13alpha-Dodecahydro-4,7,10,12,14-Pentahydroxy-4,9,9-Trimethyl-13-Methylene-3,5alpha-Methano-5aH-Cycloheptacyclodecen-8(1H)-One
[CAS# 52557-31-0]

Identification

• Name: (3R,4R,5aS,7S,10S,12S,13aS,14R)-2,3,4,5,6,7,9,10,11,12,13,13alpha-Dodecahydro-4,7,10,12,14-Pentahydroxy-4,9,9-Trimethyl-13-Methylene-3,5alpha-Methano-5aH-Cycloheptacyclodecen-8(1H)-One
• Synonyms: Grayanol A
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 52557-31-0
• SMILES: [C@H]1(O)C23[C@@H](CC[C@H]1[C@](O)(C2)C)C([C@@H](O)C[C@H](O)C(C(=O)[C@@H](O)C3)(C)C)=C
• InChI: 1S/C20H32O6/c1-10-11-5-6-12-16(24)20(11,9-19(12,4)26)8-14(22)17(25)18(2,3)15(23)7-13(10)21/h11-16,21-24,26H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-,16+,19+,20?/m0/s1
• InChIKey: GYJWAHUFJQYZSI-AQQRKTFKSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 589.965°C at 760 mmHg (Cal.)
• Flash point: 324.634°C (Cal.)