| SpectraBase Compound ID | GHSF0qtAYkk |
|---|---|
| InChI | InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19(15-24(28)29)27(5,16-25(30)31)23(20)13-14-26(21,22)4/h17-23H,6-16H2,1-5H3,(H,28,29)(H,30,31) |
| InChIKey | XFNNOYZRMDYVIS-UHFFFAOYSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C27H46O4 |
| Exact Mass | 434.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3hvNVaBqvQ |
|---|---|
| Name | 2,3-Secocholestan-2,3-dioic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O4 |
| InChI | InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19(15-24(28)29)27(5,16-25(30)31)23(20)13-14-26(21,22)4/h17-23H,6-16H2,1-5H3,(H,28,29)(H,30,31) |
| InChIKey | XFNNOYZRMDYVIS-UHFFFAOYSA-N |
| Molecular Weight | 434.661 g/mol |
| SMILES | OC(CC1(C(CC(O)=O)CCC2C1CCC1(C(CCC21)C(CCCC(C)C)C)C)C)=O |
| SPLASH | splash10-0adl-7965000000-54a201cb32b37cd58e5b |
| Source of Spectrum | NP-15-943-0 |
| Synonyms | 2-[6-(carboxymethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetic acid 2-[6-(carboxymethyl)-3-(1,5-dimethylhexyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetic acid 2-[6-(2-hydroxy-2-oxoethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanoic acid |
| Wiley ID | 1112244 |