(3Z)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol

HCID 5281010
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Basic information

Standard SMILES
CC1CCC(O)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)/C=C/C(C)C(C)C
InChIKey
ILYCWAKSDCYMBB-AAGLSAJLSA-N
Molecular formula
C28H46O
Average molar mass
398.7 g/mol
Monoisotopic mass
398.35486609

Overview

See also: Dihydrotachysterol (annotation moved to).

Names & identifiers

Preferred name
(3Z)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol
IUPAC
(3Z)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol

Names & synonyms

CalcamineSCHEMBL30192777ILYCWAKSDCYMBB-AAGLSAJLSA-N

Database identifiers

PubChem CID
5281010

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
29

Related reactions

4 records
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Compound notes

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