Estra-1(10),2,4,16-tetraen-3-ol

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Systematic / IUPAC Name: Estra-1,3,5(10),16-tetraen-3-ol

ID: Reference1457

Other Names: Estratetraenol;
Oestra-1,3,5(10),16-tetraen-3-ol

Formula: C18H22O

Class: Endogenous Metabolites

Spectral Data

Estra-1(10),2,4,16-tetraen-3-ol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 242
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 12:25:29 PM
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Identificators

InChI InChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h2,5,7,9,11,15-17,19H,3-4,6,8,10H2,1H3/t15-,16-,17+,18+/m1/s1
InChI Key CRMOMCHYBNOFIV-BDXSIMOUSA-N
Canonical SMILES CC12CCC3C(C1CC=C2)CCC4=C3C=CC(=C4)O
CAS 1150909
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Other Names Estratetraenol;
Oestra-1,3,5(10),16-tetraen-3-ol

In Other Databases

ChEBI CHEBI:62849
ChemSpider 539012
ChemIDPlus 001150909
ChEMBL CHEMBL1080216
PubChem 101988