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18,20-Dinorpicrasane-13-carboxylic acid, 3-(acetyloxy)-12,16-dioxo-, methyl ester, (3.alpha.,5.beta.,13.beta.,14.alpha.)-
SpectraBase Compound ID GKWEs1ElT2a
InChI InChI=1S/C22H30O7/c1-11(23)28-13-5-6-21(2)12(7-13)8-16-19-14(21)9-17(24)22(3,20(26)27-4)15(19)10-18(25)29-16/h12-16,19H,5-10H2,1-4H3/t12-,13+,14-,15-,16+,19+,21-,22+/m0/s1
InChIKey FGYLDEVXUABFOK-YQDSQRCHSA-N
Mol Weight 406.48 g/mol
Molecular Formula C22H30O7
Exact Mass 406.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVA2Is9dRDS
Name 18,20-Dinorpicrasane-13-carboxylic acid, 3-(acetyloxy)-12,16-dioxo-, methyl ester, (3.alpha.,5.beta.,13.beta.,14.alpha.)-
CAS Registry Number 63533-93-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O7
InChI InChI=1S/C22H30O7/c1-11(23)28-13-5-6-21(2)12(7-13)8-16-19-14(21)9-17(24)22(3,20(26)27-4)15(19)10-18(25)29-16/h12-16,19H,5-10H2,1-4H3/t12-,13+,14-,15-,16+,19+,21-,22+/m0/s1
InChIKey FGYLDEVXUABFOK-YQDSQRCHSA-N
Molecular Weight 406.475 g/mol
SMILES [C@@]1([C@@]2([C@@]3([C@](C[C@]4([C@@]([C@]3(CC1=O)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])([H])OC(C2)=O)[H])[H])(C(=O)OC)C
SPLASH splash10-0a4s-0089100000-3b5ccb195e4bde30f06d
Source of Spectrum O-13-312-3
Synonyms Phenanthro[10,1-bc]pyran, 18,20-dinorpicrasane-13-carboxylic acid deriv. Methyl (3R,3aS,6aR,7aS,9R,11aS,11bS,11cR)-9-(acetyloxy)-3,11a-dimethyl-2,5-dioxohexadecahydrodibenzo[de,g]chromene-3-carboxylate Methyl ester of 9.alpha.-acetyloxy-3.alpha.-carboxy-3 .beta.,11a.beta.-dimethyl-2,5-dioxoperhydrophenanthro[10,1-bc]pyran
Wiley ID 1372139