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Barringtogenol-C
SpectraBase Compound ID Ga3Cupt4yye
InChI InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3
InChIKey AYDKOFQQBHRXEW-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjPS70nIuut
Name Olean-12-ene-3,16,21,22,28-pentol, (3.beta.,16.alpha.,21.beta.,22.alpha.)-
Alternate Name(s) Olean-12-ene-3,16,21,22,28-pentol (3beta,16alpha,21beta,22alpha)olean-12-ene-3,16,21,22,28-pentol 2,2,6a,6b,9,9,12a-heptamethyl-4a-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol 4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol Barringtogenol C Careyagenol A Escinidin Giganteumgenin M Jegosapogenol Jegosapogenol A Olean-12-ene-3,16,21,22,28-pentol, (3beta,16alpha,21beta,22alpha)- Olean-12-ene-3.beta.,16.alpha.,21.beta.,22.alpha.,28-pentol Olean-12-ene-3beta,16alpha,21beta,22alpha,28-pentol Proschiwalligenin PB1 Saniculagenin D Theasapogenol B
CAS Registry Number 13844-01-4
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Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3
InChIKey AYDKOFQQBHRXEW-UHFFFAOYSA-N
Molecular Weight 490.725 g/mol
SMILES OC1C(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C1O)CO)O)C)C)(C)C)O)C)(C)C
SPLASH splash10-066s-0950000000-bee8750e9cd08d50b08e
Source of Spectrum EP-2267-0-0
Wiley ID 1397321