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18,20-Dinorpicrasane-13-carboxylic acid, 3-(nitrooxy)-12,16-dioxo-, methyl ester, (3.alpha.,5.beta.,13.beta.,14.alpha.)-
SpectraBase Compound ID 2yL7olSuO4x
InChI InChI=1S/C20H27NO8/c1-19-5-4-11(29-21(25)26)6-10(19)7-14-17-12(19)8-15(22)20(2,18(24)27-3)13(17)9-16(23)28-14/h10-14,17H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,17+,19-,20+/m0/s1
InChIKey BZILZONGLOXZKX-PPTZGIPSSA-N
Mol Weight 409.44 g/mol
Molecular Formula C20H27NO8
Exact Mass 409.173667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXe9nRNwkZt
Name 18,20-Dinorpicrasane-13-carboxylic acid, 3-(nitrooxy)-12,16-dioxo-, methyl ester, (3.alpha.,5.beta.,13.beta.,14.alpha.)-
CAS Registry Number 63533-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO8
InChI InChI=1S/C20H27NO8/c1-19-5-4-11(29-21(25)26)6-10(19)7-14-17-12(19)8-15(22)20(2,18(24)27-3)13(17)9-16(23)28-14/h10-14,17H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,17+,19-,20+/m0/s1
InChIKey BZILZONGLOXZKX-PPTZGIPSSA-N
Molecular Weight 409.435 g/mol
SMILES [C@@]1([C@@]2([C@@]3([C@](C[C@]4([C@@]([C@]3(CC1=O)[H])(CC[C@@](ON(=O)=O)(C4)[H])C)[H])([H])OC(C2)=O)[H])[H])(C(=O)OC)C
SPLASH splash10-01p9-0092000000-4cf5506ec7c673ed1294
Source of Spectrum O-13-313-4
Synonyms Phenanthro[10,1-bc]pyran, 18,20-dinorpicrasane-13-carboxylic acid deriv. (3)-methyl ester of 3.alpha.-carboxy-3.beta.,11a.beta.-dimethyl-9.alpha.-nitroxy-2,5-dioxoperhydrophenanthro[10,1-bc]pyran Methyl (3R,3aS,6aR,7aR,9R,11aS,11bS,11cR)-3,11a-dimethyl-9-(nitrooxy)-2,5-dioxohexadecahydrodibenzo[de,g]chromene-3-carboxylate Methyl ester of (3.alpha.,5.beta.,13.beta.,14.alpha.)-3-(nitrooxy)-12,16-dioxo-18,20-dinorpicrasane-13-carboxylic acid
Wiley ID 1373293