Basic information
- CAS
117176-79-1- Standard SMILES
CC(C)C1=CC[C@@]2(C)CC[C@@H]3Cc4ccccc4O[C@@]3(C)[C@@H]2C1- InChIKey
WKMGWRYKSQSUKY-PSWRPDDJSA-N- Molecular formula
- C22H30O
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.22966558
Overview
Uvarisesquiterpene B has been reported in Uvaria angolensis with data available.
Names & identifiers
- Preferred name
- Uvarisesquiterpene B
- IUPAC
- (4aR,6aR,12aR,12bR)-4a,12a-dimethyl-2-propan-2-yl-4,5,6,6a,7,12b-hexahydro-1H-benzo[c]xanthene
Names & synonyms
Uvarisesquiterpene B117176-79-1(4aR,6aR,12aR,12bR)-4a,12a-dimethyl-2-propan-2-yl-4,5,6,6a,7,12b-hexahydro-1H-benzo[c]xanthene1H-Benzo(c)xanthene, 4,4a,5,6,6a,7,12a,12b-octahydro-4a,12a-dimethyl-2-(1-methylethyl)-, (4aalpha,6abeta,12aalpha,12bbeta)-(4aR,6aR,12aR,12bR)-4a,12a-dimethyl-2-propan-2-yl-4,5,6,6a,7,12b-hexahydro-1H-benzo(c)xantheneRefChem:193439(4ar,6ar,12ar,12br)-4a,12a-dimethyl-2-(propan-2-yl)-4,4a,5,6,6a,7,12a,12b-octahydro-1h-benzo[c]xantheneDTXSID809223124a,12a-Dimethyl-2-(propan-2-yl)-4,4a,5,6,6a,7,12a,12b-octahydro-1H-benzo[c]xanthene
Database identifiers
- CAS
117176-79-1- PubChem CID
- 189474
- DTXSID
DTXSID80922312
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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