Basic information
- CAS
28251-74-3- Standard SMILES
C=CC1(C)CCC2C(=CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)C(O)CCC23C)C1- InChIKey
MNLKJAWNYVVDPI-UHFFFAOYSA-N- Molecular formula
- C26H42O7
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.29305367
Overview
3-Hydroxypimara-7,15-dien-18-yl hexopyranoside has been reported in Sagenomella striatispora with data available.
Names & identifiers
- Preferred name
- Virescenoside B
- IUPAC
- 2-[(7-ethenyl-2-hydroxy-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)-3β-Hydroxy-7,15-pimaradien-19-yl]β-D-altropyranoside
- Molecular formula
- C26H42O7
- Molecular weight
- 466.61
Names & synonyms
VIRESCENOSIDE BNSC13234028251-74-3NSC 132340Hexopyranoside, (7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-2-hydroxy-1,4a,7-trimethyl-1-phenanthrenyl)methylDTXSID60950971NSC-1323403-Hydroxypimara-7,15-dien-18-yl hexopyranoside2-[(2-hydroxy-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-triol7,15-Isopimaradiene-3β,19-diol 19-O-β-D-altropyranoside[(13S)-3β-Hydroxy-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-hydroxy-1,4aβ,7-trimethylphenanthren-1β-yl]methyl]β-D-altropyranoside
Database identifiers
- CAS
28251-74-3- PubChem CID
- 280575
- DTXSID
DTXSID60950971- ChEMBL
CHEMBL502522
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 770
Physicochemical properties
- Boiling point
- 622.681 · 622.681±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.252 · 1.252±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.931 · 12.931±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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