| SpectraBase Compound ID | EUqxWytWYDN |
|---|---|
| InChI | InChI=1S/C30H46O2/c1-9-25(32-23(7)31)18-24-12-13-27-26(22(24)6)16-17-30(8)28(14-15-29(27)30)21(5)11-10-20(4)19(2)3/h10-13,19-21,25,28-29H,9,14-18H2,1-8H3/b11-10+/t20?,21-,25?,28-,29+,30-/m1/s1 |
| InChIKey | VAWKNIPYUVUCEG-UEXLACSFSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C30H46O2 |
| Exact Mass | 438.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8lLDOYh8ML5 |
|---|---|
| Name | 1,10-seco-17-beta-24-methyl-3-acetoxy-5,7,9,22-cholestatetraene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O2 |
| InChI | InChI=1S/C30H46O2/c1-9-25(32-23(7)31)18-24-12-13-27-26(22(24)6)16-17-30(8)28(14-15-29(27)30)21(5)11-10-20(4)19(2)3/h10-13,19-21,25,28-29H,9,14-18H2,1-8H3/b11-10+/t20?,21-,25?,28-,29+,30-/m1/s1 |
| InChIKey | VAWKNIPYUVUCEG-UEXLACSFSA-N |
| Molecular Weight | 438.696 g/mol |
| SMILES | C(CC)(Cc1ccc2[C@@]3(CC[C@]([C@@](\C=C\C(C(C)C)C)(C)[H])([C@@]3(C)CCc2c1C)[H])[H])OC(=O)C |
| SPLASH | splash10-004i-9004000000-5e6b00b89ee4d7ddcc65 |
| Source of Spectrum | JX-2015-6-5123 |
| Synonyms | 1-((3R,3aR,9bR)-3-((2R,E)-5,6-dimethylhept-3-en-2-yl)-3a,6-dimethyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-7-yl)butan-2-yl acetate Acetic acid 1-[(3R,3aR,9bR)-3-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-3a,6-dimethyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-7-yl]butan-2-yl ester 1-[(3R,3aR,9bR)-3-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-3a,6-dimethyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-7-yl]butan-2-yl acetate 1-[[(3R,3aR,9bR)-3a,6-dimethyl-3-[(E,1R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-7-yl]methyl]propyl acetate 1-[(3R,3aR,9bR)-3-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-3a,6-dimethyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-7-yl]butan-2-yl ethanoate |
| Wiley ID | 1729030 |