| SpectraBase Compound ID | CARL0YsjhtV |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t19-,20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1/i7D,9D/t7?,19-,20-,21+,23-,24-,25+,26-,27-,28-,29+ |
| InChIKey | WXFBQEDDMBWDRL-HHOZVLBNSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C29H462D2O |
| Exact Mass | 414.38307 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Khz38C53XIA |
|---|---|
| Name | 27-Norergost-5-en-22,22-D2-3-ol, 25-ethenyl-, (3.beta.,25S)- |
| CAS Registry Number | 91229-13-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46D2O |
| InChI | InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t19-,20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1/i7D,9D/t7?,19-,20-,21+,23-,24-,25+,26-,27-,28-,29+ |
| InChIKey | WXFBQEDDMBWDRL-HHOZVLBNSA-N |
| Molecular Weight | 414.714 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](\C(=C\[C@@]([C@](C(C)[2D])(C)[H])(C)[H])[2D])(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0a4i-9021000000-bd74fcd02a943180b643 |
| Source of Spectrum | C-106-5622-0 |
| Synonyms | (24R,25S)-22,26-Dideuterio-24,26-dimethylcholesta-5,22-dien-3.beta.-ol (24S,25S)-22,22-Dideuterio-24-methyl-26-methylene-cholest-5-en-3.beta.-ol |
| Wiley ID | 121869 |