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3.beta.,6.beta.,19.alpha.,23-Tetrahydroxyolean-12-en-28-oic Acid
SpectraBase Compound ID 6CxpWoZ1zqE
InChI InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-19-26(3)10-9-20(33)27(4,16-31)22(26)18(32)15-29(19,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20+,21+,22?,23+,26-,27-,28-,29-,30+/m1/s1
InChIKey AWZFLHHIQVOKDV-LCMFFURFSA-N
Mol Weight 504.7 g/mol
Molecular Formula C30H48O6
Exact Mass 504.345089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8NzEAgP51n
Name 3.beta.,6.beta.,19.alpha.,23-Tetrahydroxyolean-12-en-28-oic Acid
Alternate Name(s) (3beta,4beta,6beta,18alpha,19alpha)-3,6,19,23-tetrahydroxyolean-12-en-28-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O6
InChI InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-19-26(3)10-9-20(33)27(4,16-31)22(26)18(32)15-29(19,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20+,21+,22?,23+,26-,27-,28-,29-,30+/m1/s1
InChIKey AWZFLHHIQVOKDV-LCMFFURFSA-N
Molecular Weight 504.708 g/mol
SMILES O[C@@]1(C[C@]2([C@]3(C([C@]4([C@@](C(CC[C@@]4(CC3)C(=O)O)(C)C)(O)[H])[H])=CC[C@@]2([C@@]2(C1[C@@]([C@](CC2)(O)[H])(CO)C)C)[H])C)C)[H]
SPLASH splash10-006t-0890100000-e802f481a5745f7b1656
Source of Spectrum X2-56-2164-2
Wiley ID 1605287