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Rubratoxin b

View entire compound with spectra: 4 MS (GC)

Rubratoxin b
SpectraBase Compound ID DsPd4YPNCYY
InChI InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3
InChIKey ZJTBTDVZNGBSNG-UHFFFAOYSA-N
Mol Weight 518.52 g/mol
Molecular Formula C26H30O11
Exact Mass 518.178812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6viatXShlve
Name 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, [4R*,5S*(R*),10S*[S*(S*)]]-(+)-
CAS Registry Number 21794-01-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O11
InChI InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3
InChIKey ZJTBTDVZNGBSNG-UHFFFAOYSA-N
Molecular Weight 518.515 g/mol
SMILES OC(C1C(C2=C(CC(CC3=C1C(OC3=O)=O)C(O)C1OC(=O)C=CC1)C(OC2=O)=O)O)CCCCCC
SPLASH splash10-0006-9500000000-e22db6ab25fa37ba1b27
Source of Spectrum AD-0-2612-0
Synonyms (4R*,5S*(R*),10S*(S*(S*)))-(+)-10-((3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3-hydroxy-4-(1-hydroxyheptyl)- Rubratoxin B 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)- 4-Hydroxy-10-(hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)-5-(1-hydroxyheptyl)-4,5,10,11-tetrahydro-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(9H)-tetraone BRN 1633114 CCRIS 4939 EINECS 244-582-6 HSDB 3533 NSC 126729
Wiley ID 63522