| SpectraBase Compound ID | 5VOEVzDED1d |
|---|---|
| InChI | InChI=1S/C35H54O6/c1-9-23(40-30(38)10-2)19-31(39)41-29-20-28-33(6)17-12-16-32(5,11-3)26(33)15-18-34(28,7)27-14-13-24(22(4)37)25(21-36)35(27,29)8/h13,21,23,25-29H,9-12,14-20H2,1-8H3/t23?,25-,26-,27-,28+,29-,32-,33-,34-,35+/m0/s1 |
| InChIKey | ZJGSEIZZNLFAEE-GRVCTIIOSA-N |
| Mol Weight | 570.8 g/mol |
| Molecular Formula | C35H54O6 |
| Exact Mass | 570.392039 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FxGDnz6vI |
|---|---|
| Name | 12.alpha.-(3'-Propanoyloxypentanoyloxy)-20,24-dimethyl-24-oxoscalar-16-en-25-al |
| Alternate Name(s) | 3-(1-oxopropoxy)pentanoic acid [(1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-acetyl-1-ethyl-7-formyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] ester [(1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-acetyl-1-ethyl-7-formyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] 3-propanoyloxypentanoate [(1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-ethanoyl-1-ethyl-7-methanoyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] 3-propanoyloxypentanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H54O6 |
| InChI | InChI=1S/C35H54O6/c1-9-23(40-30(38)10-2)19-31(39)41-29-20-28-33(6)17-12-16-32(5,11-3)26(33)15-18-34(28,7)27-14-13-24(22(4)37)25(21-36)35(27,29)8/h13,21,23,25-29H,9-12,14-20H2,1-8H3/t23?,25-,26-,27-,28+,29-,32-,33-,34-,35+/m0/s1 |
| InChIKey | ZJGSEIZZNLFAEE-GRVCTIIOSA-N |
| Molecular Weight | 570.811 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C[C@@]2(OC(CC(OC(=O)CC)CC)=O)[H])[H])(CCC[C@@]4(CC)C)C)[H])C)(CC=C([C@@]1(C=O)[H])C(=O)C)[H])C |
| SPLASH | splash10-0api-9232000000-0ddf17b28ee4701ffec2 |
| Source of Spectrum | X2-55-1239-7 |
| Wiley ID | 1604603 |