(1R,4S,4aS,5S,8R,8aS,9R,12R)-4,4a,5,6,7,8-hexahydro-3-(hydroxymethyl)-8,9-dimethyl-12-(1-methylethyl)-1,5-butanonaphthalene-4,8a(1H)-diol
Grundinformationen
- CAS
111025-83-3- Standard-SMILES
CC(C)[C@H]1CC[C@@H](C)[C@@H]2CC[C@@H](C)[C@@]3(O)[C@@H]2[C@H](O)C(CO)=C[C@@H]13- InChIKey
WVVCBUGDSFLEHX-SBNBNJMHSA-N- Summenformel
- C20H34O3
- Durchschnittliche Molmasse
- 322,5 g/mol
- Monoisotopische Masse
- 322,25079494
Überblick
Vinigrol is a diterpenoid with formula C20H34O3. It is isolated from the fungal strain Virgaria nigra F-5408 and exhibits antihypertensive and antiplatelet aggregation activities. It has a role as an antihypertensive agent, a platelet aggregation inhibitor and a fungal metabolite. It is a primary alcohol, a diterpenoid, a tertiary alcohol, a triol, a secondary alcohol and a carbotricyclic compound.
Namen und Bezeichner
- Bevorzugter Name
- (1R,4S,4aS,5S,8R,8aS,9R,12R)-4,4a,5,6,7,8-hexahydro-3-(hydroxymethyl)-8,9-dimethyl-12-(1-methylethyl)-1,5-butanonaphthalene-4,8a(1H)-diol
- IUPAC
- (1S,2R,5S,6R,9R,10R,13S,14S)-12-(hydroxymethyl)-2,6-dimethyl-9-propan-2-yltricyclo[8.4.0.05,14]tetradec-11-ene-1,13-diol
- Englischer Name
- vinigrol
- Summenformel
- C20H34O3
- Molmasse
- 322.486
Namen und Synonyme
orb1738040CHEBI:222218(1R,4S,4aS,5S,8R,8aS,9R,12R)-3-(hydroxymethyl)-8,9-dimethyl-12-(propan-2-yl)-4,4a,5,6,7,8-hexahydro-1,5-butanonaphthalene-4,8a(1H)-diol(1R,4S,4aS,5S,8R,8aS,9R,12R)-4,4a,5,6,7,8-hexahydro-3-(hydroxymethyl)-8,9-dimethyl-12-(1-methylethyl)-1,5-butanonaphthalene-4,8a(1H)-diolvinigrol(-)-Vinigrol1,5-Butanonaphthalene-4,8a(1H)-diol, 4,4a,5,6,7,8-hexahydro-3-(hydroxymethyl)-8,9-dimethyl-12-(1-methylethyl)-, (1R,4S,4aS,5S,8R,8aS,9R,12R)-
Datenbank-Bezeichner
- CAS
111025-83-3- PubChem CID
- 9797262
- ChEBI
CHEBI:222218
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 60,7 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 472
Chemie und Industrie
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上海陶术生物科技股份有限公司13564774135 · [email protected]
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TargetMol中国（陶术生物）15002134094 · [email protected]
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