| SpectraBase Compound ID | 2wRA3Vxw3x9 |
|---|---|
| InChI | InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,8,10,13-14,16-20,24H,5-7,9,11-12H2,1-3H3/t14-,16+,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | VMDSLTKXHVDXNB-NBOCEFNVSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C22H32O2 |
| Exact Mass | 328.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1KDQSCsBkW |
|---|---|
| Name | 3-.beta.-Hydroxypregna-1,5-diene-20-carbaldehyde |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O2 |
| InChI | InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,8,10,13-14,16-20,24H,5-7,9,11-12H2,1-3H3/t14-,16+,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | VMDSLTKXHVDXNB-NBOCEFNVSA-N |
| Molecular Weight | 328.496 g/mol |
| SMILES | O[C@]1(C=C[C@]2(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](C=O)(C)[H])[H])[H])[H])C1)C)[H] |
| SPLASH | splash10-03fs-0039000000-84d81f013ee32a2df3ad |
| Source of Spectrum | U-1994-1030-8 |
| Synonyms | 2-[(1S,2R,5R,10S,11S,14R,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-3,7-dien-14-yl]propanal (2S)-2-[(3R,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]propanal (2S)-2-[(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]propanal |
| Wiley ID | 766167 |