3,6a,9-Trimethyl-7-(propan-2-yl)hexahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-4,6,7,8a,8b,9a(6aH,9H)-hexol
Basic information
- CAS
62394-04-1- Standard SMILES
CC1CCC2(O)C3(C)CC4(O)O[C@@]2([C@@H]1O)C1(O)C3(O)C[C@](O)(C(C)C)C41C- InChIKey
TVHZPQAYPSOHQT-RTWQWHHJSA-N- Molecular formula
- C20H32O7
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.21480336
Names & identifiers
- Preferred name
- 3,6a,9-Trimethyl-7-(propan-2-yl)hexahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-4,6,7,8a,8b,9a(6aH,9H)-hexol
- IUPAC
- (1R,2R,11S)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol
- English name
- 3-Deoxyryanodol
- Molecular formula
- C20H32O7
- Molecular weight
- 384.46
Names & synonyms
DTXSID10977951AKOS032948138(4R,4aR,7S)-3,6a,9-Trimethyl-7-(propan-2-yl)hexahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-4,6,7,8a,8b,9a(6aH,9H)-hexol3,6a,9-Trimethyl-7-(propan-2-yl)hexahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-4,6,7,8a,8b,9a(6aH,9H)-hexolCinnzeylalCinnzeylanol3-DeoxyryanodolRyanodol, 3-deoxy-6,9-Methanobenzo[1,2]pentaleno[1,6-bc]furan-4,6,7,8a,8b,9a(6aH,9H)-hexol, hexahydro-3,6a,9-trimethyl-7-(1-methylethyl)-, (3S,4R,4aR,6S,6aS,7S,8aR,8bR,9R,9aS)-
Database identifiers
- CAS
62394-04-1- PubChem CID
- 3085241
- DTXSID
DTXSID10977951
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 759
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
Chemistry & industry
Applications
DescriptionCinnzeylanol and Cinnzeylanine can kill larvae of silkworm, Bombyx mori L. at a dose of 16 ppm and inhibit larval ecdysis at 2~4 ppm.
UsesCinnzeylanol (3-Deoxyryanodol) is a Sesquiterpenoids product that can be isolated from the herbs of Datura metel[1].
Additional notes
DefinitionChEBI: Cinnzeylanol is a diterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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