| SpectraBase Compound ID | KcaZqXpbYvJ |
|---|---|
| InChI | InChI=1S/C29H44O6/c1-8-16(2)22-9-10-23-27-24(15-26(29(22,23)7)35-19(5)32)28(6)12-11-21(33-17(3)30)13-20(28)14-25(27)34-18(4)31/h8,16,20-27H,1,9-15H2,2-7H3 |
| InChIKey | DMHLPKLSVNRSIQ-UHFFFAOYSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C29H44O6 |
| Exact Mass | 488.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GPNzTtj8ReX |
|---|---|
| Name | 24-Norchol-22-ene-3,7,12-triol, triacetate, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- |
| CAS Registry Number | 60354-49-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O6 |
| InChI | InChI=1S/C29H44O6/c1-8-16(2)22-9-10-23-27-24(15-26(29(22,23)7)35-19(5)32)28(6)12-11-21(33-17(3)30)13-20(28)14-25(27)34-18(4)31/h8,16,20-27H,1,9-15H2,2-7H3 |
| InChIKey | DMHLPKLSVNRSIQ-UHFFFAOYSA-N |
| Molecular Weight | 488.665 g/mol |
| SMILES | C(OC1C2C(C3(C(C1)CC(OC(C)=O)CC3)C)CC(C1(C2CCC1C(C=C)C)C)OC(C)=O)(C)=O |
| SPLASH | splash10-0zfr-0920000000-f9ba3678ed8c15cc15d8 |
| Source of Spectrum | W5-36505-29031-29031 |
| Synonyms | (7,12-diacetyloxy-17-but-3-en-2-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate (7,12-diacetyloxy-17-but-3-en-2-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ethanoate Acetic acid (7,12-diacetyloxy-17-but-3-en-2-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester [7,12-diacetoxy-10,13-dimethyl-17-(1-methylallyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| Wiley ID | 1396928 |