(1aR,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4-ol

• ChemBase ID: 179532
• Molecular Formular: C15H26O
• Molecular Mass: 222.36634
• Monoisotopic Mass: 222.19836545
• SMILES: [C@H]12[C@H]([C@H]3[C@@H]([C@](CC1)(O)C)CC[C@H]3C)C2(C)C
• Canonical SMILES: C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@]2(C)O
• InChI: InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15+/m1/s1
• InChIKey: AYXPYQRXGNDJFU-IMNVLQEYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1aR,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4-ol
• IUPAC Traditional name: (1aR,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-octahydro-1aH-cyclopropa[e]azulen-4-ol
• Synonyms: (1aR,4S,4aS,7R,7aS,7bS)-Decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol; Himbaccol; [1aR-(1aα,4β,4aβ,7α,7aβ,7bα)]Decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol; d-Viridiflorol; (+)-Viridiflorol

Database IDs

• CAS Number: 552-02-3
• PubChem SID: 164235442
• PubChem CID: 11996452

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.178502
• LogD (pH = 7.4): 3.1785023
• Log P: 3.1785023
• Molar Refractivity: 66.6 cm^3
• Polarizability: 26.800741 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - V673900

(+)-Viridiflorol is a volatile sesquiterpenoid extracted from Niaouli (Melaleuca quinquenervia) leaf essential oils. (+)-Viridiflorol is used as a flavour and fragrance agent.

REFERENCES

• Ramanoelina, P.A.R. et al.: J. Essent. Oil Res., 4, 657 (1992)
• Del Giudice, L. et al.: Environ. Microbiol., 10, 2824 (1992)
• Hethelyi, E. et al.: Olaj Szap. Kozm., 49, 25 (1992)