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(17.beta.)-Estra-1,3,5(10)-triene-3,17-diol trans-9-octadecenoate
SpectraBase Compound ID 9vw79lmNIdE
InChI InChI=1S/C36H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-34-24-23-33-32-21-19-28-27-29(37)20-22-30(28)31(32)25-26-36(33,34)2/h10-11,20,22,27,31-34,37H,3-9,12-19,21,23-26H2,1-2H3/b11-10-/t31-,32-,33+,34+,36+/m1/s1
InChIKey ZIXGCHCKYAYGLA-IWMFVQSDSA-N
Mol Weight 536.8 g/mol
Molecular Formula C36H56O3
Exact Mass 536.422946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30EqIVTueC4
Name (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol trans-9-octadecenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H56O3
InChI InChI=1S/C36H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-34-24-23-33-32-21-19-28-27-29(37)20-22-30(28)31(32)25-26-36(33,34)2/h10-11,20,22,27,31-34,37H,3-9,12-19,21,23-26H2,1-2H3/b11-10-/t31-,32-,33+,34+,36+/m1/s1
InChIKey ZIXGCHCKYAYGLA-IWMFVQSDSA-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 536.841 g/mol
Reported Formula C36H56O3
SMILES Oc1ccc2c(c1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC(=O)CCCCCCC\C=C/CCCCCCCC)[H])[H])C)[H])[H]
SPLASH splash10-0a4i-8980010000-c405d4df9ca5a51fa67c
Source of Spectrum ARK-2005-185-3i
Wiley ID 1870915