| SpectraBase Compound ID | DhHOhayreFJ |
|---|---|
| InChI | InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32) |
| InChIKey | CNWPIIOQKZNXBB-UHFFFAOYSA-N |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C27H46O5 |
| Exact Mass | 450.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LKnm9gTRQxb |
|---|---|
| Name | Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- |
| Alternate Name(s) | 3,7,12-Trihydroxycholestan-26-oic acid (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-oic acid 2-Methyl-6-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)enanthic acid 2-Methyl-6-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid 26-THCA 3.alpha.,7.alpha.,12.alpha.-Trihydroxy-5.beta.-cholestanoic acid 3.alpha.,7.alpha.,12.alpha.-Trihydroxycoprostanic acid 5.beta.-Cholestan-26-oic acid, 3.alpha.,7.alpha.,12.alpha.-trihydroxy- 6-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid |
| CAS Registry Number | 547-98-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O5 |
| InChI | InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32) |
| InChIKey | CNWPIIOQKZNXBB-UHFFFAOYSA-N |
| Molecular Weight | 450.660 g/mol |
| SMILES | OC(C(CCCC(C1C2(C(CC3C(C2CC1)C(CC1C3(CCC(C1)O)C)O)O)C)C)C)=O |
| SPLASH | splash10-0fk9-0093000000-93bda548e3b0406d064f |
| Source of Spectrum | T-66-2439-0 |
| Wiley ID | 1387810 |