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3-[10,13-dimethyl-3-[6-methyl-5-[6-methyl-5-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

View entire compound with spectra: 3 MS (GC)

3-[10,13-dimethyl-3-[6-methyl-5-[6-methyl-5-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SpectraBase Compound ID CrVQFyYYERn
InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3
InChIKey LTMHDMANZUZIPE-UHFFFAOYSA-N
Mol Weight 780.9 g/mol
Molecular Formula C41H64O14
Exact Mass 780.429607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvEJJebmg27
Name 3-[10,13-dimethyl-3-[6-methyl-5-[6-methyl-5-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Registry Number 20830-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H64O14
InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3
InChIKey LTMHDMANZUZIPE-UHFFFAOYSA-N
Molecular Weight 780.949 g/mol
SMILES OC12C(C(CC3C1CCC1C3(CCC(OC3CC(C(OC4CC(C(OC5CC(C(O)C(O5)C)O)C(O4)C)O)C(O3)C)O)C1)C)O)(C)C(CC2)C1=CC(=O)OC1
SPLASH splash10-0abc-9301000000-1f95e26e447d40d6048d
Source of Spectrum JZ-1992-1585-0
Synonyms 3-[3-[5-[5-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 3-[3-[[5-[[5-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 3.beta.-[(O-2,6-Dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-12.beta.,14-dihydroxy-5.beta.-card-20(22)-enolide Acygoxin Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3.beta.,5.beta.,12.beta.)- Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3.beta.,5.beta.,12.beta.)- Cardigox Cardiogoxin Cardioxin Cardoxin Chloroformic digitalin Cogoxin Coragoxine Cordioxil Davoxin Digacin Digitalis glycoside Digoksyna Digomal DIGON Digonix DIGOS Digosin Digossina Digoxigenin-tridigitoxosid Digoxin Digoxin Nativelle Digoxin-sandoz Digoxin-zori Digoxina Digoxina-sandoz Digoxine Digoxine navtivelle Digoxinum Dilanacin Dimecip Dixina DOKIM Dynamos Eudigox Fargoxin Grexin Hemigoxine nativelle Homolle's digitalin Lanacordin Lanacrist Lanicor Lanikor Lanorale Lanoxicaps Lanoxin Lanoxin PG Lanoxine-PG Lenoxicaps Lenoxin Lifusin Longdigox Mapluxin Natigoxin Neo-Lanicor Neodioxanin Purgoxin Rougoxin Saroxin SK-Digoxin Stillacor Vanoxin BRN 0077011 EINECS 244-068-1 HSDB 214 NSC 95100
Wiley ID 1416897