SpectraBase Compound ID | Kcx3VNRwD3i |
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InChI | InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3 |
InChIKey | CTNHZEZBBGIUJB-UHFFFAOYSA-N |
Mol Weight | 474.7 g/mol |
Molecular Formula | C30H50O4 |
Exact Mass | 474.37091 g/mol |
SpectraBase Spectrum ID | KWa60014SPZ |
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Name | Olean-12-ene-3,16,22,28-tetrol, (3.beta.,16.beta.,22.alpha.)- |
CAS Registry Number | 474-15-7 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C30H50O4 |
InChI | InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3 |
InChIKey | CTNHZEZBBGIUJB-UHFFFAOYSA-N |
Molecular Weight | 474.726 g/mol |
SMILES | OCC12C(CC(CC2C=2C(CC1O)(C)C1(C)C(CC2)C2(C)C(CC1)C(C)(C)C(CC2)O)(C)C)O |
SPLASH | splash10-00kb-0980000000-b7d59990160b4bd9b0dd |
Source of Spectrum | EP-2266-0-0 |
Synonyms | Olean-12-ene-3,16,22,28-tetrol 4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol Chichipegenin Olean-12-ene-3.beta.,16.beta.,22.alpha.,28-tetrol |
Wiley ID | 1394004 |