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Naphtho[1,2-c]furan-3(1H)-one, 6-[(acetyloxy)methyl]-5-(benzoyloxy)decahydro-9-hydroxy-6,9a-dimethyl
SpectraBase Compound ID JHwsPVOrPdn
InChI InChI=1S/C24H30O7/c1-14(25)30-13-23(2)10-9-19(26)24(3)17-12-29-22(28)16(17)11-18(20(23)24)31-21(27)15-7-5-4-6-8-15/h4-8,16-20,26H,9-13H2,1-3H3
InChIKey NFSXLEDHWOLHJQ-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C24H30O7
Exact Mass 430.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ShEUqoBrU8
Name Naphtho[1,2-c]furan-3(1H)-one, 6-[(acetyloxy)methyl]-5-(benzoyloxy)decahydro-9-hydroxy-6,9a-dimethyl
Alternate Name(s) 6-[(acetyloxy)methyl]-9-hydroxy-6,9a-dimethyl-3-oxododecahydronaphtho[1,2-c]furan-5-yl benzoate Pebrolide
CAS Registry Number 79236-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O7
InChI InChI=1S/C24H30O7/c1-14(25)30-13-23(2)10-9-19(26)24(3)17-12-29-22(28)16(17)11-18(20(23)24)31-21(27)15-7-5-4-6-8-15/h4-8,16-20,26H,9-13H2,1-3H3
InChIKey NFSXLEDHWOLHJQ-UHFFFAOYSA-N
Molecular Weight 430.497 g/mol
SMILES OC1C2(C3C(C(=O)OC3)CC(C2C(COC(=O)C)(C)CC1)OC(=O)c1ccccc1)C
SPLASH splash10-066r-0391000000-df31e7dc1f15eea82e0c
Source of Spectrum F-37-651-0
Wiley ID 1381546