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5-[2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

HCID 4018
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
1217872-70-2
Standard SMILES
C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)OCCC(C)(C)O)CC(O)CC1O
InChIKey
DTXXSJZBSTYZKE-UHFFFAOYSA-N
Molecular formula
C26H42O4
Average molar mass
418.6 g/mol
Monoisotopic mass
418.30830982

Names & identifiers

Preferred name
5-[2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
IUPAC
5-[2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Names & synonyms

5-[2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol132071-85-31217872-70-2DTXSID60861174169218-34-220-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol

Database identifiers

CAS
1217872-70-2
PubChem CID
4018
DTXSID
DTXSID60861174

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
69.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Formal charge
0
Complexity
691

Related reactions

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Compound notes

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