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ent-13-Acetoxy-10.beta.-hydroxy-3.alpha.-(methylsulfonyloxy)-20-norgibberell-16-ene-7,19-dioic acid 7-methyl ester 19,10-lactone

View entire compound with spectra: 2 MS (GC)

ent-13-Acetoxy-10.beta.-hydroxy-3.alpha.-(methylsulfonyloxy)-20-norgibberell-16-ene-7,19-dioic acid 7-methyl ester 19,10-lactone
SpectraBase Compound ID 5u0nNWJeRRq
InChI InChI=1S/C23H30O9S/c1-12-10-21-11-22(12,30-13(2)24)8-6-14(21)23-9-7-15(32-33(5,27)28)20(3,19(26)31-23)17(23)16(21)18(25)29-4/h14-17H,1,6-11H2,2-5H3/t14?,15-,16-,17?,20+,21+,22+,23-/m1/s1
InChIKey NEGYODVECQVKRI-ULDCORDASA-N
Mol Weight 482.54 g/mol
Molecular Formula C23H30O9S
Exact Mass 482.161054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjjUpVMLwh8
Name ent-13-Acetoxy-10.beta.-hydroxy-3.alpha.-(methylsulfonyloxy)-20-norgibberell-16-ene-7,19-dioic acid 7-methyl ester 19,10-lactone
Alternate Name(s) ent-13-Acetoxy-10.beta.-hydroxy-3.beta.-methylsulfonyloxy-20-norgibberell-16-ene-7,19-dioic acid 7-methyl ester 19,10-lactone Methyl (1R,5S,8S,9S,11R,12R)-5-(acetyloxy)-11-methyl-6-methylene-12-[(methylsulfonyl)oxy]-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O9S
InChI InChI=1S/C23H30O9S/c1-12-10-21-11-22(12,30-13(2)24)8-6-14(21)23-9-7-15(32-33(5,27)28)20(3,19(26)31-23)17(23)16(21)18(25)29-4/h14-17H,1,6-11H2,2-5H3/t14?,15-,16-,17?,20+,21+,22+,23-/m1/s1
InChIKey NEGYODVECQVKRI-ULDCORDASA-N
Molecular Weight 482.544 g/mol
SMILES [C@]123C([C@@](C)(C(O3)=O)[C@@](CC1)(OS(=O)(=O)C)[H])[C@](C(=O)OC)([C@@]13C2CC[C@](OC(=O)C)(C3)C(C1)=C)[H]
SPLASH splash10-001l-3192000000-58e246824f7115872051
Source of Spectrum KC-0-440-43
Wiley ID 787377