Dataset

3,17ALPHA-DI-O-TRIMETHYLSILYLESTRADIOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002713 contains the MS mass spectrum of 3,17ALPHA-DI-O-TRIMETHYLSILYLESTRADIOL with the InChIkey WJUROLKZHWTVGC-SJSRKZJXSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C24H40O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,16,20-23H,8,10,12-15H2,1-7H3/t20-,21-,22+,23-,24+/m1/s1
SMILES	C(C1(C)4)([H])(O[Si](C)(C)C)CCC1(C(C([H])(CC4)2)([H])CCc(c3)c2ccc(O[Si](C)(C)C)3)[H]
InChI Key	WJUROLKZHWTVGC-SJSRKZJXSA-N
Molecular Formula	C24H40O2Si2
Exact Mass	416.257 g/mol

Data and Resources

3,17ALPHA-DI-O-TRIMETHYLSILYLESTRADIOLHTML

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Related Molecule ⌄

trimethyl-[[(8R,9S,13S,14S,17R)-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002713
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	trimethyl-[[(8R,9S,13S,14S,17R)-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
101618084	pubchem
DTXSID801346398	comptox
The data in this table is sourced from UniChem at EBI.