| SpectraBase Compound ID | 9P3RkrqwLLA |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19-21,23-28H,8-18H2,1-7H3/t20-,21-,23?,24+,25?,26?,27?,28?,29+,30-/m1/s1 |
| InChIKey | CVXQLNHSKSSFSQ-GCGRDQEGSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ElTyEaxRG3C |
|---|---|
| Name | Endogenous (CN) acetate dev. |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19-21,23-28H,8-18H2,1-7H3/t20-,21-,23?,24+,25?,26?,27?,28?,29+,30-/m1/s1 |
| InChIKey | CVXQLNHSKSSFSQ-GCGRDQEGSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CCC1[C@@](CC[C@](C(C)C)(C)[H])(C)[H])C |
| SPLASH | splash10-014i-0094100000-608031539a1aad3370f9 |
| Source of Spectrum | QB-22-1299-5 |
| Synonyms | 24-Methylcholestanyl acetate (3beta,24R)-ergostan-3-yl acetate |
| Wiley ID | 860736 |