| SpectraBase Compound ID | Ed463OENgBi |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-20-12-17-33(28(35)36-9)19-18-31(7)23(27(33)21(20)2)10-11-25-30(6)15-14-26(37-22(3)34)29(4,5)24(30)13-16-32(25,31)8/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24?,25-,26+,27+,30+,31-,32-,33+/m1/s1 |
| InChIKey | HLBZSQOUBVLLLL-MOHNNTMTSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DwWEiChtYxN |
|---|---|
| Name | Methyl-3.beta.-acetoxy-urs-12-en-28-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-20-12-17-33(28(35)36-9)19-18-31(7)23(27(33)21(20)2)10-11-25-30(6)15-14-26(37-22(3)34)29(4,5)24(30)13-16-32(25,31)8/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24?,25-,26+,27+,30+,31-,32-,33+/m1/s1 |
| InChIKey | HLBZSQOUBVLLLL-MOHNNTMTSA-N |
| Molecular Weight | 512.775 g/mol |
| SMILES | C1=2[C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4(C)C)[H])C)C)(CC[C@@]2([C@]1([C@]([C@@](CC2)(C)[H])(C)[H])[H])C(=O)OC)C |
| SPLASH | splash10-0ik9-0190000000-fcfbca2db37733c77b12 |
| Source of Spectrum | E1-40-1685-0 |
| Synonyms | (3beta,9alpha)-28-methoxy-28-oxours-12-en-3-yl acetate (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid methyl ester Methyl (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-acetoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Methyl (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate |
| Wiley ID | 1519490 |