| SpectraBase Compound ID | JeJGbTQuu3u |
|---|---|
| InChI | InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3 |
| InChIKey | OGQJUYXFIOFTMA-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K4oCCHjWtyp |
|---|---|
| Name | Cholesta-8,14-dien-3-ol, 4,4-dimethyl-, (3.beta.,5.alpha.)-Acetate |
| CAS Registry Number | 19456-83-8 |
| Comments | Note: The molecular formula of the structure shown is C29H48O - which differs from the formula reported for the mass spectrum (C31H50O2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3 |
| InChIKey | OGQJUYXFIOFTMA-UHFFFAOYSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | OC1C(C2C(C)(C3=C(C=4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CC2)CC1)(C)C |
| SPLASH | splash10-052f-9202000000-74dc055e8c816b7fd17b |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | 4,4-Dimethylcholesta-8,14-dien-3-ol 17-(1,5-dimethylhexyl)-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-ol 4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-ol 4,4-DCDO 5.alpha.-Cholesta-8,14-dien-3.beta.-ol, 4,4-dimethyl- 5.alpha.-Cholesta-8,14-dien-3.beta.-ol, 4,4-dimethyl-,Acetate Cholesta-8,14-dien-3-ol, 4,4-dimethyl-, (3.beta.,5.alpha.)- Cholesta-8,14-dien-3-ol, 4,4-dimethyl-, (3beta,5alpha)- |
| Wiley ID | 742152 |