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(cis-3,5-Dihydroxy-2,3,trans-3A,4,5,cis-9B-hexahydro-7-methoxy-1H-benz[E]inden-3-yl) hydroxymethyl ketone, alpha,5-diacetate

View entire compound with spectra: 1 FTIR, and 1 Raman

(cis-3,5-Dihydroxy-2,3,trans-3A,4,5,cis-9B-hexahydro-7-methoxy-1H-benz[E]inden-3-yl) hydroxymethyl ketone, alpha,5-diacetate
SpectraBase Compound ID 9JTmrdZJTO3
InChI InChI=1S/C20H24O7/c1-11(21)26-10-19(23)20(24)7-6-15-14-5-4-13(25-3)8-16(14)18(9-17(15)20)27-12(2)22/h4-5,8,15,17-18,24H,6-7,9-10H2,1-3H3/t15-,17-,18+,20+/m0/s1
InChIKey CTJQNAKIYPQVRM-WOGUSJMUSA-N
Mol Weight 376.41 g/mol
Molecular Formula C20H24O7
Exact Mass 376.152203 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KlpwXCcgW4k
Name (cis-3,5-Dihydroxy-2,3,trans-3A,4,5,cis-9B-hexahydro-7-methoxy-1H-benz[E]inden-3-yl) hydroxymethyl ketone, alpha,5-diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.152203106 u
Formula C20H24O7
InChI InChI=1S/C20H24O7/c1-11(21)26-10-19(23)20(24)7-6-15-14-5-4-13(25-3)8-16(14)18(9-17(15)20)27-12(2)22/h4-5,8,15,17-18,24H,6-7,9-10H2,1-3H3/t15-,17-,18+,20+/m0/s1
InChIKey CTJQNAKIYPQVRM-WOGUSJMUSA-N
Molecular Weight 376.405 g/mol
SMILES O[C@@]1(CC[C@@]2([C@@]1(C[C@](C1=C2C=CC(=C1)OC)(OC(C)=O)[H])[H])[H])C(=O)COC(=O)C
Spectrum/Structure Validation Score (Raman) 0.920528