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7.beta.,20,23gama-Trihydroxy-3,11,15-trioxolanosta-8-en-26- oic acid
SpectraBase Compound ID 5rc9vypsw2C
InChI InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15-17,19-20,31-32,38H,8-14H2,1-7H3,(H,36,37)/t15?,16?,17-,19-,20-,27-,28+,29-,30-/m0/s1
InChIKey XMBMRJGNNOUNJL-FCBJXMNTSA-N
Mol Weight 532.7 g/mol
Molecular Formula C30H44O8
Exact Mass 532.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LekHeQMXza5
Name 7.beta.,20,23gama-Trihydroxy-3,11,15-trioxolanosta-8-en-26- oic acid
Appearance Colorless amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44O8
InChI InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15-17,19-20,31-32,38H,8-14H2,1-7H3,(H,36,37)/t15?,16?,17-,19-,20-,27-,28+,29-,30-/m0/s1
InChIKey XMBMRJGNNOUNJL-FCBJXMNTSA-N
Instrument Name Hewlett-Packard 5989B
Ionization Type EI
Literature Reference DOI 10.1021/np030383p
Molecular Weight 532.674 g/mol
Optical Rotation [a]D26 = +225.5 (c = 0.216, CHCl3)
Reported Formula C30H42O7
SMILES O[C@@]1(C=2[C@@]3(C(C[C@]([C@](CC(CC(C(=O)O)C)O)(O)C)([C@]3(CC(C2[C@]2(CCC(C([C@@]2(C1)[H])(C)C)=O)C)=O)C)[H])=O)C)[H]
SPLASH splash10-014i-2102930000-a3f9b886b3b777567dc2
Source of Spectrum G4-67-1113-2
Synonyms 23-dihydroganoderic acid N
Wiley ID 1881823