| SpectraBase Compound ID | ojPfAY0qpR |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)26(3)15-13-23-22-9-8-20-16-21(29)12-14-27(20,4)25(22)11-10-24(23)26/h8,18-19,21-22,25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,25+,26+,27+/m1/s1 |
| InChIKey | HWBWZCXKQNLXKG-MQXYGGLKSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7VzkpUbUgJB |
|---|---|
| Name | (25R)-17.beta.-Methyl-18-nor-17.alpha.-cholesta-5,13-diene-3.beta.,26-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.334130655 u |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)26(3)15-13-23-22-9-8-20-16-21(29)12-14-27(20,4)25(22)11-10-24(23)26/h8,18-19,21-22,25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,25+,26+,27+/m1/s1 |
| InChIKey | HWBWZCXKQNLXKG-MQXYGGLKSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | C12=C([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])CC[C@]1([C@@](CCC[C@](CO)(C)[H])(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942116 |