| SpectraBase Compound ID | B8kjKnU2R7J |
|---|---|
| InChI | InChI=1S/C27H40O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h15-17,20-24H,5-14H2,1-4H3/t16?,17-,20-,21+,22-,23-,24?,26-,27+/m0/s1 |
| InChIKey | ZCUMDOJIWYOOIK-NQWODNNOSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C27H40O3 |
| Exact Mass | 412.297745 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JH5CoKfiem |
|---|---|
| Name | Cholest-4-en-26-oic acid, 22-hydroxy-3-oxo-, .delta.-lactone, (22R,25S)- |
| CAS Registry Number | 114820-28-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O3 |
| InChI | InChI=1S/C27H40O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h15-17,20-24H,5-14H2,1-4H3/t16?,17-,20-,21+,22-,23-,24?,26-,27+/m0/s1 |
| InChIKey | ZCUMDOJIWYOOIK-NQWODNNOSA-N |
| Molecular Weight | 412.614 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](C1OC(=O)C(CC1)C)(C)[H])[H])[H])C |
| SPLASH | splash10-022c-2930100000-14890dfb549d5174ab8f |
| Source of Spectrum | J-53-3929-6 |
| Synonyms | 3-Methyl-6-[(20S)-3-oxopregn-4-en-20-yl]tetrahydro-2H-pyran-2-one Minabeolide 6 6-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-2-oxanone 6-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyloxan-2-one 6-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-tetrahydropyran-2-one 6-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-oxan-2-one |
| Wiley ID | 1374663 |