| SpectraBase Compound ID | 7RgWUtyRwXm |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27(33)30(34)16-22(32)11-14-29(30,17-35-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32-34H,3,7-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30+/m1/s1 |
| InChIKey | LAVASOSSYAPADQ-WVMCKFTRSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C30H50O5 |
| Exact Mass | 490.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1QAKaKC2Q5Q |
|---|---|
| Name | 19-acetoxy-24-methylenecholestan-3.beta.,5.alpha.,6.beta.-triol |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O5 |
| InChI | InChI=1S/C30H50O5/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27(33)30(34)16-22(32)11-14-29(30,17-35-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32-34H,3,7-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30+/m1/s1 |
| InChIKey | LAVASOSSYAPADQ-WVMCKFTRSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0400858 |
| Molecular Weight | 490.725 g/mol |
| Optical Rotation | [a]D25 = -4.4 (c = 0.6, CHCl3) |
| Reported Formula | C30H50O5 |
| SMILES | O[C@]1(CC[C@]2([C@](C1)([C@@](C[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCC(C(C)C)=C)[H])[H])[H])C)[H])[H])(O)[H])O)COC(=O)C)[H] |
| SPLASH | splash10-014i-9200200000-141be3b3560efae0b814 |
| Source of Spectrum | G4-67-1458-8 |
| Synonyms | Armatinol B |
| Wiley ID | 1881912 |