Basic information
- CAS
123617-34-5- Standard SMILES
CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC23C)O1- InChIKey
HXXZFHABSSZFHB-UHFFFAOYSA-N- Molecular formula
- C42H70O13
- Average molar mass
- 783 g/mol
- Monoisotopic mass
- 782.48164228
Names & identifiers
- Preferred name
- 15alpha-Hydroxycimicidol-3-O-beta-xyloside
- IUPAC
- 2-[[1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-enyl)-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicosan-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
15alpha-Hydroxycimicidol-3-O-beta-xyloside
Database identifiers
- CAS
123617-34-5- PubChem CID
- 14769397
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,420
Experimental & physicochemical properties
Melting Point179 - 180 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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