| SpectraBase Compound ID | 92SChoemFn3 |
|---|---|
| InChI | InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3 |
| InChIKey | VKJLHZZPVLQJKG-UHFFFAOYSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C30H50O6 |
| Exact Mass | 506.360739 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3yuE116VIgA |
|---|---|
| Name | Olean-12-ene-3,16,21,22,23,28-hexol, (3.beta.,4.alpha.,16.alpha.,21.beta.,22.alpha.)- |
| CAS Registry Number | 13844-22-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O6 |
| InChI | InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3 |
| InChIKey | VKJLHZZPVLQJKG-UHFFFAOYSA-N |
| Molecular Weight | 506.724 g/mol |
| SMILES | OC1C(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C1O)CO)O)C)C)(C)CO)O)C)(C)C |
| SPLASH | splash10-0apj-0930000000-231a52cf708b89a7cdb2 |
| Source of Spectrum | EP-2270-0-0 |
| Synonyms | Olean-12-ene-3,16,21,22,23,28-hexol, (3.beta.,4.beta.,16.alpha.,21.beta.,22.alpha.)- Olean-12-ene-3,16,21,22,23,28-hexol 2,2,6a,6b,9,12a-hexamethyl-4a,9-dimethylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol 4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol Olean-12-ene-3.beta.,16.alpha.,21.beta.,22.alpha.,23,28-hexol Olean-12-ene-3.beta.,16.alpha.,21.beta.,22.alpha.,24,28-hexol Protoaescigenin Protoescigenin Protoescigenine Theasapogenol A |
| Wiley ID | 1399913 |