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(17.beta.)-Estra-1,3,5(10)-triene-3,17-diol dodecanoate
SpectraBase Compound ID 3qLqimEH5NM
InChI InChI=1S/C30H46O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h14,16,21,25-28,31H,3-13,15,17-20H2,1-2H3/t25-,26-,27+,28+,30+/m1/s1
InChIKey GYBFORWWBPHVDU-BOJCFLQHSA-N
Mol Weight 454.7 g/mol
Molecular Formula C30H46O3
Exact Mass 454.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0Io6UfWJxQ
Name (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol dodecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O3
InChI InChI=1S/C30H46O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h14,16,21,25-28,31H,3-13,15,17-20H2,1-2H3/t25-,26-,27+,28+,30+/m1/s1
InChIKey GYBFORWWBPHVDU-BOJCFLQHSA-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 454.695 g/mol
Reported Formula C30H46O3
SMILES Oc1cc2c(cc1)[C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(OC(=O)CCCCCCCCCCC)[H])C)[H])[H])[H]
SPLASH splash10-0zfu-8210900000-58ee35f20dad9aa3fe34
Source of Spectrum ARK-2005-184-3d
Wiley ID 1870910