Einecs 227-699-7

HCID 111113
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Basic information

CAS
5941-92-4
Standard SMILES
CC[C@]12CCC3=C(CCc4cc(OC)ccc43)[C@@H]1CCC2=O
InChIKey
PFKPABPFEUSONI-ICSRJNTNSA-N
Molecular formula
C20H24O2
Average molar mass
296.4 g/mol
Monoisotopic mass
296.17763001

Names & identifiers

Preferred name
Einecs 227-699-7
IUPAC
(13S,14S)-13-ethyl-3-methoxy-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one

Names & synonyms

5941-92-4EINECS 227-699-7SCHEMBL11687876(1)-13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-oneDTXSID40103633113-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-one13beta-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-one

Database identifiers

CAS
5941-92-4
PubChem CID
111113
DTXSID
DTXSID401036331
EC Number
227-699-7
Nikkaji
J221.662K

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
22

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory InformationStatus: Active Update: 21-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16675
Hazard Classes and CategoriesNot Classified

Related reactions

4 records
New reaction record

Compound notes

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