Basic information
- Standard SMILES
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C- InChIKey
QYSXJUFSXHHAJI-UHFFFAOYSA-N- Molecular formula
- C27H44O
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.33921602
Names & identifiers
- Preferred name
- 9,10-Secocholesta-5,7,10-trien-3-ol
- IUPAC
- 3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Names & synonyms
DTXSID008590709,10-secocholesta-5,7,10-trien-3-olRefChem:1074836DTXCID808096345,6-trans-Vitamin D3Vitamin D3 (Cholecalciferol)Cholecalciferol USP CRSSCHEMBL23878716CQC523193-[2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanolCID 66577030cholecalciferol (undefined stereochemistry)
Show more names
DB-055091Cholecalciferol (Certified Reference Standard)Q320390853965-99-9
Database identifiers
- PubChem CID
- 2735
- DTXSID
DTXSID00859070
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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