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

*Links on SpectraBase are not permalinks.
(17.beta.)-Estra-1,3,5(10)-triene-3,17-diol hexanoate
SpectraBase Compound ID K7aFvRQ6aru
InChI InChI=1S/C24H34O3/c1-3-4-5-6-23(26)27-22-12-11-21-20-9-7-16-15-17(25)8-10-18(16)19(20)13-14-24(21,22)2/h8,10,15,19-22,25H,3-7,9,11-14H2,1-2H3/t19-,20-,21+,22+,24+/m1/s1
InChIKey GHLGEOXVTQTIBD-NTYLBUJVSA-N
Mol Weight 370.5 g/mol
Molecular Formula C24H34O3
Exact Mass 370.250795 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 GDdRxC751nD
Name (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O3
InChI InChI=1S/C24H34O3/c1-3-4-5-6-23(26)27-22-12-11-21-20-9-7-16-15-17(25)8-10-18(16)19(20)13-14-24(21,22)2/h8,10,15,19-22,25H,3-7,9,11-14H2,1-2H3/t19-,20-,21+,22+,24+/m1/s1
InChIKey GHLGEOXVTQTIBD-NTYLBUJVSA-N
Instrument Name TRIO-2 VG Masslab Shimadzu QP-5000 and Finnigan TSQ70
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.c12
Molecular Weight 370.533 g/mol
Reported Formula C24H34O3
SMILES Oc1cc2c(cc1)[C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(OC(=O)CCCCC)[H])C)[H])[H])[H]
SPLASH splash10-00di-9515000000-605d10c009e5a0778c6a
Source of Spectrum ARK-2005-184-3b
Wiley ID 1870908