Basic information
- CAS
80311-28-0- Standard SMILES
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1- InChIKey
IDTIOCYBMWJUGJ-UHFFFAOYSA-N- Molecular formula
- C43H68O15
- Average molar mass
- 825 g/mol
- Monoisotopic mass
- 824.45582146
Names & identifiers
- Preferred name
- 10-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-methoxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- IUPAC
- 10-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-methoxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Database identifiers
- CAS
80311-28-0- PubChem CID
- 5087645
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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