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1,4-Dioxaspiro[4.4]nonane-6-acetaldehyde, 6-methyl-7-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [6S-[6.alpha.,7.beta.(R*)]]-
SpectraBase Compound ID GBjx5MqJhw0
InChI InChI=1S/C21H26O5/c1-20(9-10-22)18(7-8-21(20)25-11-12-26-21)17-5-3-14-13-15(24-2)4-6-16(14)19(17)23/h4,6,10,13,17-18H,3,5,7-9,11-12H2,1-2H3/t17-,18-,20-/m0/s1
InChIKey FKSWFVXJAASBBA-BJLQDIEVSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zVTOcVhHn6
Name 1,4-Dioxaspiro[4.4]nonane-6-acetaldehyde, 6-methyl-7-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [6S-[6.alpha.,7.beta.(R*)]]-
CAS Registry Number 125285-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-20(9-10-22)18(7-8-21(20)25-11-12-26-21)17-5-3-14-13-15(24-2)4-6-16(14)19(17)23/h4,6,10,13,17-18H,3,5,7-9,11-12H2,1-2H3/t17-,18-,20-/m0/s1
InChIKey FKSWFVXJAASBBA-BJLQDIEVSA-N
Molecular Weight 358.434 g/mol
SMILES C1([C@]([C@]2([C@@](C3(OCCO3)CC2)(CC=O)C)[H])(CCc2c1ccc(OC)c2)[H])=O
SPLASH splash10-01si-0900000000-57fc95def185c107a110
Source of Spectrum H-72-728-7
Synonyms 17,17-(ethylenedioxy)-3-methoxy-9-oxo-9,11-seco-1,3,5(10)-estratrien-11-al {(6S,7S)-7-[(2S)-6-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl]-6-methyl-1,4-dioxaspiro[4.4]non-6-yl}acetaldehyde
Wiley ID 1347174