(1R-(1alpha,4beta,4abeta,5alpha,8beta,8abeta,9S*,12S*))-4,4a,5,6,7,8-hexahydro-8,9-dimethyl-3-(hydroxymethyl)-12-(1-methylethyl)-1,5-Butanonaphthalene-4,8a(1H)-diol
[CAS# 111025-83-3]

Identification

• Name: (1R-(1alpha,4beta,4abeta,5alpha,8beta,8abeta,9S*,12S*))-4,4a,5,6,7,8-hexahydro-8,9-dimethyl-3-(hydroxymethyl)-12-(1-methylethyl)-1,5-Butanonaphthalene-4,8a(1H)-diol
• Synonyms: Antibiotic Fr 900478; Brn 5063688; Vinigrol
• Molecular Formula: C₂₀H₃₄O₃
• Molecular Weight: 322.49
• CAS Registry Number: 111025-83-3
• SMILES: [C@@H]12[C@@]3(O)[C@@H](C=C([C@H]1O)CO)[C@H](CC[C@H]([C@@H]2CC[C@H]3C)C(C)C)C
• InChI: 1S/C20H34O3/c1-11(2)15-7-5-12(3)17-9-14(10-21)19(22)18-16(15)8-6-13(4)20(17,18)23/h9,11-13,15-19,21-23H,5-8,10H2,1-4H3/t12-,13+,15-,16-,17-,18-,19+,20-/m0/s1
• InChIKey: UADXIAKXDDMQEN-VGZBWQSVSA-N

Properties

• Density: 1.071g/cm³ (Cal.)
• Boiling point: 469.317°C at 760 mmHg (Cal.)
• Flash point: 209.668°C (Cal.)