(1S,4S,12S,13R,16R,17R)-17-(Methoxymethyl)-12-Methyl-8-Oxapentacyclo[14.2.1.0^1,13.0^4,12.0^5,9]Nonadeca-5(9),6-Dien-17-Ol
[CAS# 108214-28-4]

Identification

• Classification: Analytical chemistry >> Standard >> Analytical standard
• Name: (1S,4S,12S,13R,16R,17R)-17-(Methoxymethyl)-12-Methyl-8-Oxapentacyclo[14.2.1.0^1,13.0^4,12.0^5,9]Nonadeca-5(9),6-Dien-17-Ol
• Synonyms: (1S,4S,12S,13R,16R,17R)-17-(Methoxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0^1,13.0^4,12.0^5,9]nonadeca-5(9),6-dien-17-ol; (1S,4S,12S,13R,16R,17R)-17-(Methoxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0^1,13.0^4,12.0^5,9]nonadeca-5(9),6-dien-17-ol; (1S,4S,12S,13R,16R,17R)-17-(Méthoxyméthyl)-12-méthyl-8-oxapentacyclo[14.2.1.0^1,13.0^4,12.0^5,9]nonadéca-5(9),6-dién-17-ol
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.46
• CAS Registry Number: 108214-28-4
• SMILES: C[C@@]12CCc3c(cco3)[C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(COC)O
• InChI: 1S/C21H30O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(22,12-20)13-23-2/h7,10,14,16,18,22H,3-6,8-9,11-13H2,1-2H3/t14-,16-,18+,19-,20+,21+/m1/s1
• InChIKey: SLLBLMMZGDUTOG-GVOJMRIRSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 445.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 223.0±28.7°C (Cal.)
• Refractive index: 1.575 (Cal.)