(2S,3aS,4aS,7S,9aR,11R,11aR,12R)-Dodecahydro-1,1-Dimethyl-4,8-Dimethylene-7,9a-Methano-9aH-Cyclopenta(b)Heptalene-2,11,11a,12(1H)-Tetrol
[CAS# 30460-60-7]

Identification

• Name: (2S,3aS,4aS,7S,9aR,11R,11aR,12R)-Dodecahydro-1,1-Dimethyl-4,8-Dimethylene-7,9a-Methano-9aH-Cyclopenta(b)Heptalene-2,11,11a,12(1H)-Tetrol
• Synonyms: Brn 2223108; Grayanotoxa-10(20),16-Diene-3,5,6,14-Tetrol, (3-Beta,6-Beta,14R)-; Grayanotoxin Viii
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 30460-60-7
• SMILES: [C@H]23C1([C@@H](O)C(C(C1)=C)CC2)C[C@@H](O)[C@@]4(O)[C@H](C3=C)C[C@H](O)C4(C)C
• InChI: 1S/C20H30O4/c1-10-8-19-9-16(22)20(24)14(7-15(21)18(20,3)4)11(2)13(19)6-5-12(10)17(19)23/h12-17,21-24H,1-2,5-9H2,3-4H3/t12?,13-,14-,15-,16+,17-,19?,20-/m0/s1
• InChIKey: JPEBAJKDWYGOHM-YXVCOKLDSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 492.595°C at 760 mmHg (Cal.)
• Flash point: 224.36°C (Cal.)