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Olean-12-ene-3,16,23,28-tetrol, tetraacetate, (3.beta.,4.alpha.,16.beta.)-
SpectraBase Compound ID 8gfAm1nXIeT
InChI InChI=1S/C38H58O8/c1-23(39)43-21-35(8)29-13-16-36(9)30(34(29,7)15-14-31(35)45-25(3)41)12-11-27-28-19-33(5,6)17-18-38(28,22-44-24(2)40)32(46-26(4)42)20-37(27,36)10/h11,28-32H,12-22H2,1-10H3/t28-,29?,30+,31-,32-,34-,35-,36+,37+,38+/m0/s1
InChIKey GWIHLYZDKKUJAQ-FNIDCQAYSA-N
Mol Weight 642.9 g/mol
Molecular Formula C38H58O8
Exact Mass 642.413169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KI01RswsZse
Name Olean-12-ene-3,16,23,28-tetrol, tetraacetate, (3.beta.,4.alpha.,16.beta.)-
CAS Registry Number 62641-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H58O8
InChI InChI=1S/C38H58O8/c1-23(39)43-21-35(8)29-13-16-36(9)30(34(29,7)15-14-31(35)45-25(3)41)12-11-27-28-19-33(5,6)17-18-38(28,22-44-24(2)40)32(46-26(4)42)20-37(27,36)10/h11,28-32H,12-22H2,1-10H3/t28-,29?,30+,31-,32-,34-,35-,36+,37+,38+/m0/s1
InChIKey GWIHLYZDKKUJAQ-FNIDCQAYSA-N
Molecular Weight 642.874 g/mol
SMILES [C@]12(C([C@@]3(CC(C)(C)CC[C@@]3([C@](C2)(OC(=O)C)[H])COC(=O)C)[H])=CC[C@@]2([C@]3(CC[C@@]([C@](C3CC[C@@]12C)(COC(=O)C)C)(OC(=O)C)[H])C)[H])C
SPLASH splash10-0uk9-0290030000-6266e6be6d91b5609e86
Source of Spectrum KC-1987-633-8
Synonyms (3beta,4beta,16beta)-16,23,28-tris(acetyloxy)olean-12-en-3-yl acetate Amorphous tetra-acetate
Wiley ID 1412754