Basic information
- CAS
64776-96-1- Standard SMILES
C=CC(C)(O)CC/C=C(\C)COC1OC(CO)C(O)C(O)C1O- InChIKey
WEHZDNHJZBEGME-UXBLZVDNSA-N- Molecular formula
- C16H28O7
- Average molar mass
- 332.39 g/mol
- Monoisotopic mass
- 332.18350323
Names & identifiers
- Preferred name
- 2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- 2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- (6E)-3,7-Dimethyl-8-(β-D-glucopyranosyloxy)-1,6-octadiene-3-ol
- Molecular formula
- C16H28O7
- Molecular weight
- 332.39
Names & synonyms
2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triolBetulalbuside ABetulabuside A(6E)-3,7-Dimethyl-8-(β-D-glucopyranosyloxy)-1,6-octadiene-3-ol[(2E)-2,6-Dimethyl-6-hydroxy-2,7-octadien-1-yl]β-D-glucopyranosideβ-D-Glucopyranoside, (2E,6R)-6-hydroxy-2,6-dimethyl-2,7-octadien-1-ylbeta-D-Glucopyranoside (2E,6R)-6-hydroxy-2,6-dimethyl-2,7-octadien-1-yl
Database identifiers
- CAS
64776-96-1- PubChem CID
- 14484635
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 555.2 · 555.2±50.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.92 · 12.92±0.70(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesBetulalbuside A is a monoterpene glucoside found in Viburnum lantana that has anti-inflammatory activity[1].
Suppliers12 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
BOC Sciences[email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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