For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
9-trans-Acetyl-7,8,9,10-tetrahydro-6,7-rel,9-cis,11-tetrahydroxy-2,3-dimethyl-5,12-naphthacenequinone
SpectraBase Compound ID 2DGIAC0LjwA
InChI InChI=1S/C22H20O7/c1-8-4-11-12(5-9(8)2)19(26)17-16(18(11)25)20(27)13-6-22(29,10(3)23)7-14(24)15(13)21(17)28/h4-5,14,24,27-29H,6-7H2,1-3H3/t14-,22-/m0/s1
InChIKey CLMJHPMCBPSVAP-FPTDNZKUSA-N
Mol Weight 396.4 g/mol
Molecular Formula C22H20O7
Exact Mass 396.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7hXFSbyVM
Name 9-trans-Acetyl-7,8,9,10-tetrahydro-6,7-rel,9-cis,11-tetrahydroxy-2,3-dimethyl-5,12-naphthacenequinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O7
InChI InChI=1S/C22H20O7/c1-8-4-11-12(5-9(8)2)19(26)17-16(18(11)25)20(27)13-6-22(29,10(3)23)7-14(24)15(13)21(17)28/h4-5,14,24,27-29H,6-7H2,1-3H3/t14-,22-/m0/s1
InChIKey CLMJHPMCBPSVAP-FPTDNZKUSA-N
Molecular Weight 396.395 g/mol
SMILES Oc1c2C[C@@](C[C@@](c2c(c2C(c3c(C(c12)=O)cc(c(c3)C)C)=O)O)(O)[H])(O)C(=O)C
SPLASH splash10-01p2-0009000000-f2f940fe9dd34ace5754
Source of Spectrum K-113-2985-10
Synonyms (7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-2,3-dimethyl-7,8,9,10-tetrahydrotetracene-5,12-dione
Wiley ID 1792809