Basic information
- CAS
28251-73-2- Standard SMILES
C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)COC2OC(CO)C(O)C(O)C2O)C1- InChIKey
FCXXKIPOXPDQAP-UHFFFAOYSA-N- Molecular formula
- C26H42O8
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.28796829
Overview
2,3-Dihydroxypimara-7,15-dien-18-yl hexopyranoside has been reported in Sagenomella striatispora with data available.
Names & identifiers
- Preferred name
- Virescenoside A
- IUPAC
- 2-[(7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- [(13S)-2α,3β-Dihydroxy-7,15-pimaradien-19-yl]β-D-altropyranoside
- Molecular formula
- C26H42O8
- Molecular weight
- 482.61
Names & synonyms
VIRESCENOSIDE A28251-73-2NSC 132339Hexopyranoside, (7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-2,3-dihydroxy-1,4a,7-trimethyl-1-phenanthrenyl)methylRefChem:194397NSC132339CHEMBL1974720DTXSID00950970NSC-132339NCI60_0007132,3-Dihydroxypimara-7,15-dien-18-yl hexopyranoside2-[(2,3-dihydroxy-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl)methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Show more names
7,15-Isopimaradiene-2α,3β,19-triol 19-O-β-D-altropyranoside[(13S)-2α,3β-Dihydroxy-7,15-pimaradien-19-yl]β-D-altropyranoside[[(1S)-7α-Vinyl-1,2,3,4,4a,4bα,5,6,7,8,10,10aα-dodecahydro-2β,3α-dihydroxy-1,4aβ,7-trimethylphenanthren-1β-yl]methyl]β-D-altropyranosideβ-D-Altropyranoside, [(1S,2R,3R,4aR,4bS,7S,10aR)-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-2,3-dihydroxy-1,4a,7-trimethyl-1-phenanthrenyl]methyl
Database identifiers
- CAS
28251-73-2- PubChem CID
- 280574
- DTXSID
DTXSID00950970- ChEMBL
CHEMBL1974720、CHEMBL526750
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 802
Physicochemical properties
- Boiling point
- 640.3 · 640.3±55.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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