![Olean-12-ene-3,16,21,22,28-pentol, 21-(2-methyl-2-butenoate), [3.beta.,16.alpha.,21.beta.(Z),22.alpha.]-](/api/spectrum/1XL49EVt3Y/structure.png?h=300&w=458 "Olean-12-ene-3,16,21,22,28-pentol, 21-(2-methyl-2-butenoate), [3.beta.,16.alpha.,21.beta.(Z),22.alpha.]-")
| SpectraBase Compound ID | 1Kg0U1bss62 |
|---|---|
| InChI | InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)35(19-36)22(17-30(28,3)4)21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(35)38/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10- |
| InChIKey | SJSCBAFROHXGCX-JMIUGGIZSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C35H56O6 |
| Exact Mass | 572.40769 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1XL49EVt3Y |
|---|---|
| Name | Olean-12-ene-3,16,21,22,28-pentol, 21-(2-methyl-2-butenoate), [3.beta.,16.alpha.,21.beta.(Z),22.alpha.]- |
| CAS Registry Number | 20089-98-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H56O6 |
| InChI | InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)35(19-36)22(17-30(28,3)4)21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(35)38/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10- |
| InChIKey | SJSCBAFROHXGCX-JMIUGGIZSA-N |
| Molecular Weight | 572.827 g/mol |
| SMILES | OC1C2(C(CC3(C(=CCC4C5(CCC(C(C5CCC34C)(C)C)O)C)C2CC(C1OC(\C(=C/C)C)=O)(C)C)C)O)CO |
| SPLASH | splash10-0apj-4930000000-f77e89238fa29e0f8af5 |
| Source of Spectrum | T-68-5822-0 |
| Synonyms | 3,16,22,28-Tetrahydroxyolean-12-en-21-yl (2Z)-2-methyl-2-butenoate (Z)-2-methylbut-2-enoic acid (4,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-4a-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl) ester 21-O-Angeloylbarringtogenol C Barringtogenol B Olean-12-ene-3,16,21,22,28-pentol, 16-(2-methyl-2-butenoate), [3.beta.,16.alpha.(Z),21.beta.,22.alpha.]- Olean-12-ene-3.beta.,16.alpha.,21.beta.,22.alpha.,28-pentol, 16-(2-methylcrotonate), (Z)- Olean-12-ene-3.beta.,16.alpha.,21.beta.,22.alpha.,28-pentol, 21-(2-methylcrotonate), (Z)-(+)- R1-Barrigenol (Z)-2-methyl-2-butenoic acid [4,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] ester [4,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate |
| Wiley ID | 64810 |