| SpectraBase Compound ID | 5zSzv68mmlu |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h11,14,17-21,23,27-28H,5-10,12-13H2,1-4H3 |
| InChIKey | CTGYXJXWCGIHQC-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C56GF6VSXkJ |
|---|---|
| Name | Chol-4-en-24-oic acid, 7,12-dihydroxy-3-oxo-, methyl ester, (7.alpha.,12.alpha.)- |
| Alternate Name(s) | Methyl 7,12-dihydroxy-3-oxochol-4-en-24-oate 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(7,12-dihydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester Methyl 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-[10,13-dimethyl-7,12-bis(oxidanyl)-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| CAS Registry Number | 55319-79-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h11,14,17-21,23,27-28H,5-10,12-13H2,1-4H3 |
| InChIKey | CTGYXJXWCGIHQC-UHFFFAOYSA-N |
| Molecular Weight | 418.574 g/mol |
| SMILES | OC1C2C3C(C(CC2C2(CCC(C=C2C1)=O)C)O)(C(CC3)C(CCC(OC)=O)C)C |
| SPLASH | splash10-00xr-2940000000-bfbfc6c314ab732c2349 |
| Source of Spectrum | ZZ-0-7-0 |
| Wiley ID | 58644 |