| SpectraBase Compound ID | I8iv11IpscI |
|---|---|
| InChI | InChI=1S/C25H38O8/c1-13(26)18-8-11-25(31)23(18,5)21(33-15(3)28)19(32-14(2)27)20-22(4)9-7-17(29)12-16(22)6-10-24(20,25)30/h6,13,17-21,26,29-31H,7-12H2,1-5H3 |
| InChIKey | JBQVNTFIPFQJOW-UHFFFAOYSA-N |
| Mol Weight | 466.6 g/mol |
| Molecular Formula | C25H38O8 |
| Exact Mass | 466.256668 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 | Fbp5HHiRobb |
|---|---|
| Name | Pregn-5-ene-3,8,11,12,14,20-hexol, 11,12-diacetate, (3.beta.,11.alpha.,12.beta.,14.beta.)- |
| Alternate Name(s) | 14.beta.-Pregn-5-ene-3.beta.,8,11.alpha.,12.beta.,14,20-hexol, 11,12-diacetate Marsectohexol, 11,12-diacetate Acetic acid [12-acetyloxy-3,8,14-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] ester [12-acetyloxy-3,8,14-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate [12-acetoxy-3,8,14-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate [12-acetyloxy-17-(1-hydroxyethyl)-10,13-dimethyl-3,8,14-tris(oxidanyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] ethanoate |
| CAS Registry Number | 27526-89-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O8 |
| InChI | InChI=1S/C25H38O8/c1-13(26)18-8-11-25(31)23(18,5)21(33-15(3)28)19(32-14(2)27)20-22(4)9-7-17(29)12-16(22)6-10-24(20,25)30/h6,13,17-21,26,29-31H,7-12H2,1-5H3 |
| InChIKey | JBQVNTFIPFQJOW-UHFFFAOYSA-N |
| Molecular Weight | 466.571 g/mol |
| SMILES | OC12C(C3(C(CC(CC3)O)=CC1)C)C(C(C1(C2(O)CCC1C(C)O)C)OC(C)=O)OC(C)=O |
| SPLASH | splash10-01b9-5951000000-e6a25bbdcb0544159e7d |
| Source of Spectrum | H-53-233-17 |
| Wiley ID | 1391938 |