(1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-Tetradecahydro-1,1,3,6,8-pentamethyl-1H-cyclopropa(3,4)benz(1,2-e)azulene

HCID 154992

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 67707-87-3
Standard SMILES: C[C@@H]1C[C@H]2C[C@H](C)C[C@@H]3[C@@H]([C@@H]2C1)[C@H](C)C[C@@H]1[C@H]3C1(C)C
InChIKey: CGVXVPQJMYMMIH-HKDZDBKOSA-N
Molecular formula: C20H34
Average molar mass: 274.5 g/mol
Monoisotopic mass: 274.26605109

Overview

Tigliane is a diterpene and a terpenoid fundamental parent.

Names & identifiers

Preferred name: (1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-Tetradecahydro-1,1,3,6,8-pentamethyl-1H-cyclopropa(3,4)benz(1,2-e)azulene
IUPAC: (1R,2R,4R,6S,8S,10R,11S,13R,15R)-4,8,12,12,15-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadecane

Names & synonyms

tigliane67707-87-3CHEBI:37526(1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene(1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa(3,4)benzo(1,2-e)azuleneRefChem:1049377(1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-Tetradecahydro-1,1,3,6,8-pentamethyl-1H-cyclopropa(3,4)benz(1,2-e)azuleneTiglian(1R,2R,4R,6S,8S,10R,11S,13R,15R)-4,8,12,12,15-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadecanePhorbolsSCHEMBL29446176DTXSID50987054

Show more names

1H-Cyclopropa(3,4)benz(1,2-e)azulene, tetradecahydro-1,1,3,6,8-pentamethyl-, (1as-(1aalpha,1bbeta,3beta,4abeta,6beta,7aalpha,7balpha,8alpha,9aalpha))-Q271171791,1,3,6,8-Pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene

Database identifiers

CAS: 67707-87-3
PubChem CID: 154992

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 395

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…