Basic information
- CAS
157056-92-3- Standard SMILES
C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](O)[C@H]12)C3(C)C- InChIKey
XRSWXKSZTUARNM-SFPMZPPXSA-N- Molecular formula
- C26H38O7
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.26175355
Overview
Yunnaxan has been reported in Taxus cuspidata and Taxus wallichiana with data available.
Names & identifiers
- Preferred name
- 6,10-Methanobenzocyclodecene-3,5,7,11-tetrol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3,7,11-triacetate, (3S,4aS,5S,6R,7S,11S,12aS)-
- IUPAC
- [(1R,2S,3S,5S,8S,10S,14S)-10,14-diacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
Names & synonyms
157056-92-36,10-Methanobenzocyclodecene-3,5,7,11-tetrol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3,7,11-triacetate, (3S,4aS,5S,6R,7S,11S,12aS)-RefChem:305943CHEMBL246989SCHEMBL31374849DTXSID001099127
Database identifiers
- CAS
157056-92-3- PubChem CID
- 6325381
- DTXSID
DTXSID001099127- ChEMBL
CHEMBL246989- Nikkaji
- J725.955G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 885
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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