Basic information
- Standard SMILES
COc1c2c(c(C)c3c1C(=O)OC3)OC1(C)CC(O)C34OC(OC)(CCC3(C)C1C2)OC4(C)CO- InChIKey
LCDHGZGHZZLGHK-UHFFFAOYSA-N- Molecular formula
- C26H34O9
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.22028266
Names & identifiers
- Preferred name
- NCGC00380890-01_C26H34O9_12H-3,5a-Epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,2,3,6,7,7a,10,14,14a,14b-decahydro-6-hydroxy-5-(hydroxymethyl)-3,13-dimethoxy-5,7a,9,14b-tetramethyl-
- IUPAC
- 2-hydroxy-22-(hydroxymethyl)-13,20-dimethoxy-4,7,17,22-tetramethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one
Names & synonyms
Compound NP-002155orb3172639DTXSID101350019AKOS040739996NCGC00380890-01T1309382-hydroxy-22-(hydroxymethyl)-13,20-dimethoxy-4,7,17,22-tetramethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-oneNCGC00380890-01_C26H34O9_12H-3,5a-Epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,2,3,6,7,7a,10,14,14a,14b-decahydro-6-hydroxy-5-(hydroxymethyl)-3,13-dimethoxy-5,7a,9,14b-tetramethyl-
Database identifiers
- PubChem CID
- 51136247
- DTXSID
DTXSID101350019
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 913
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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