| SpectraBase Compound ID | Lmkl9dTTMUk |
|---|---|
| InChI | InChI=1S/C34H56O5/c1-22(2)10-9-11-23(3)27-14-15-28-26-13-12-24-20-25(16-18-32(24,6)29(26)17-19-33(27,28)7)37-30(35)36-21-34(8)31(4,5)38-39-34/h12,22-23,25-29H,9-11,13-21H2,1-8H3/t23-,25+,26?,27-,28?,29?,32+,33-,34?/m1/s1 |
| InChIKey | MMJFTAHJCJFCLS-IWJBYTNNSA-N |
| Mol Weight | 544.8 g/mol |
| Molecular Formula | C34H56O5 |
| Exact Mass | 544.412775 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ICaBemjTM3A |
|---|---|
| Name | (3beta)-cholest-5-en-3-yl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl carbonate |
| CAS Registry Number | 108536-11-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H56O5 |
| InChI | InChI=1S/C34H56O5/c1-22(2)10-9-11-23(3)27-14-15-28-26-13-12-24-20-25(16-18-32(24,6)29(26)17-19-33(27,28)7)37-30(35)36-21-34(8)31(4,5)38-39-34/h12,22-23,25-29H,9-11,13-21H2,1-8H3/t23-,25+,26?,27-,28?,29?,32+,33-,34?/m1/s1 |
| InChIKey | MMJFTAHJCJFCLS-IWJBYTNNSA-N |
| Molecular Weight | 544.817 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(OCC2(C(C)(C)OO2)C)=O)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-066u-9810000000-de436add768cb0388072 |
| Source of Spectrum | J-52-3061-3 |
| Wiley ID | 1405109 |