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D:A-Friedo-24-noroleana-1,3,5(10),7-tetraene-23,29-dioic acid, 2,3-dihydroxy-6-oxo-, (20.alpha.)-
SpectraBase Compound ID HcTgBV0M5Qz
InChI InChI=1S/C29H36O7/c1-25-6-7-26(2,24(35)36)14-19(25)29(5)11-9-27(3)15-12-17(31)22(32)21(23(33)34)20(15)16(30)13-18(27)28(29,4)10-8-25/h12-13,19,31-32H,6-11,14H2,1-5H3,(H,33,34)(H,35,36)
InChIKey IGEUWSSSLAVCIX-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C29H36O7
Exact Mass 496.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbKhsjeWaap
Name D:A-Friedo-24-noroleana-1,3,5(10),7-tetraene-23,29-dioic acid, 2,3-dihydroxy-6-oxo-, (20.alpha.)-
Alternate Name(s) 10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2,9-picenedicarboxylic acid Zeylasterone
CAS Registry Number 87064-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36O7
InChI InChI=1S/C29H36O7/c1-25-6-7-26(2,24(35)36)14-19(25)29(5)11-9-27(3)15-12-17(31)22(32)21(23(33)34)20(15)16(30)13-18(27)28(29,4)10-8-25/h12-13,19,31-32H,6-11,14H2,1-5H3,(H,33,34)(H,35,36)
InChIKey IGEUWSSSLAVCIX-UHFFFAOYSA-N
Molecular Weight 496.600 g/mol
SMILES OC(C1(CC2C3(C(C4=CC(c5c(C(=O)O)c(c(cc5C4(CC3)C)O)O)=O)(CCC2(CC1)C)C)C)C)=O
SPLASH splash10-0udr-9280400000-cf2f0d306036cd835ca0
Source of Spectrum KC-1987-2853-4
Wiley ID 1398290