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17.beta.-Acetoxy-3-methoxy-6,7-secoestra-1,3,5(10)-triene-6,7-dioic acid 6-methyl ester
SpectraBase Compound ID FbdpEpqHJQl
InChI InChI=1S/C22H28O7/c1-12(23)29-18-8-7-17-19(20(24)25)15(9-10-22(17,18)2)14-6-5-13(27-3)11-16(14)21(26)28-4/h5-6,11,15,17-19H,7-10H2,1-4H3,(H,24,25)/t15?,17?,18-,19+,22-/m0/s1
InChIKey YBYSKVUQCLFOBQ-JODRKRFISA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14LZfnNnPNT
Name 17.beta.-Acetoxy-3-methoxy-6,7-secoestra-1,3,5(10)-triene-6,7-dioic acid 6-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-12(23)29-18-8-7-17-19(20(24)25)15(9-10-22(17,18)2)14-6-5-13(27-3)11-16(14)21(26)28-4/h5-6,11,15,17-19H,7-10H2,1-4H3,(H,24,25)/t15?,17?,18-,19+,22-/m0/s1
InChIKey YBYSKVUQCLFOBQ-JODRKRFISA-N
Molecular Weight 404.459 g/mol
SMILES OC([C@@]1(C(c2c(C(=O)OC)cc(OC)cc2)CC[C@]2(C1CC[C@@]2(OC(=O)C)[H])C)[H])=O
SPLASH splash10-0006-9223100000-fd48639066b61d233fa2
Source of Spectrum H1-38-163-8
Wiley ID 756075