10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid
Basic information
- CAS
85344-31-6- Standard SMILES
CC1=C2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C- InChIKey
FHYVXROQJGJCKH-UHFFFAOYSA-N- Molecular formula
- C35H54O7
- Average molar mass
- 586.8 g/mol
- Monoisotopic mass
- 586.38695406
Names & identifiers
- Preferred name
- 10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid
- IUPAC
- 10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid
Database identifiers
- CAS
85344-31-6- PubChem CID
- 4483451
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,190
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