For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl 13-(3'-methoxy-17',17'-ethylidenedioxy1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)-tridecanoate
SpectraBase Compound ID 6bHmzIzxY0g
InChI InChI=1S/C36H56O5/c1-4-39-33(37)16-14-12-10-8-6-5-7-9-11-13-15-28-26-36(40-23-24-41-36)35(2)22-21-31-30-20-18-29(38-3)25-27(30)17-19-32(31)34(28)35/h18,20,25,28,31-32,34H,4-17,19,21-24,26H2,1-3H3/t28-,31+,32+,34-,35-/m0/s1
InChIKey FCHCIGKCTBWWJB-MJPWCBNXSA-N
Mol Weight 568.8 g/mol
Molecular Formula C36H56O5
Exact Mass 568.412775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8587cQattQV
Name Ethyl 13-(3'-methoxy-17',17'-ethylidenedioxy1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)-tridecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H56O5
InChI InChI=1S/C36H56O5/c1-4-39-33(37)16-14-12-10-8-6-5-7-9-11-13-15-28-26-36(40-23-24-41-36)35(2)22-21-31-30-20-18-29(38-3)25-27(30)17-19-32(31)34(28)35/h18,20,25,28,31-32,34H,4-17,19,21-24,26H2,1-3H3/t28-,31+,32+,34-,35-/m0/s1
InChIKey FCHCIGKCTBWWJB-MJPWCBNXSA-N
Molecular Weight 568.839 g/mol
SMILES C12([C@@]3([C@@]([C@@]4(CCc5c([C@]4(CC3)[H])ccc(OC)c5)[H])([H])[C@](C1)(CCCCCCCCCCCCC(=O)OCC)[H])C)OCCO2
SPLASH splash10-000i-0009000000-5a22c59de3983e8c7297
Source of Spectrum F-47-7762-21
Synonyms Ethyl 13-[(1'S,10'R,11'S,12'S,15'S)-5'-methoxy-15'-methylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-2'(7'),3',5'-trien-12'-yl]tridecanoate
Wiley ID 1407574