Basic information
- CAS
101205-03-2- Standard SMILES
COc1ccc([C@H](O)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2C)cc1OC- InChIKey
IFIWTPAIQQQGOD-WAQNEXLBSA-N- Molecular formula
- C21H24O6
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.15728848
Overview
RN given for (3R-(3alpha(R*),4alpha,5beta))-isomer; structure in first source
Names & identifiers
- Preferred name
- Magnostellin C
- IUPAC
- (R)-[(3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-4-methyloxolan-3-yl]-(3,4-dimethoxyphenyl)methanol
Names & synonyms
Magnostellin C101205-03-2RefChem:155307(R)-((3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-4-methyloxolan-3-yl)-(3,4-dimethoxyphenyl)methanolDTXSID70905992[5-(2H-1,3-Benzodioxol-5-yl)-4-methyloxolan-3-yl](3,4-dimethoxyphenyl)methanol(R)-[(3R,4S,5S)-5-(2H-1,3-Benzodioxol-5-yl)-4-methyloxolan-3-yl](3,4-dimethoxyphenyl)methanol
Database identifiers
- CAS
101205-03-2- PubChem CID
- 192256
- DTXSID
DTXSID70905992
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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