| SpectraBase Compound ID | BAN1uOilFvh |
|---|---|
| InChI | InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36?,38+,39?,40?,41?,42?,44+,45-/m1/s1 |
| InChIKey | IWTJDVBNIUPPPB-YKZFNJJASA-N |
| Mol Weight | 653.1 g/mol |
| Molecular Formula | C45H80O2 |
| Exact Mass | 652.615832 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1KOKgL6INEe |
|---|---|
| Name | 22,23-Dihydrospinasterol Palmitate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H80O2 |
| InChI | InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36?,38+,39?,40?,41?,42?,44+,45-/m1/s1 |
| InChIKey | IWTJDVBNIUPPPB-YKZFNJJASA-N |
| Molecular Weight | 653.133 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)CCCCCCCCCCCCCCC)(C4)[H])C)CCC1[C@@](CCC(C(C)C)CC)(C)[H])C |
| SPLASH | splash10-0lxy-4093005000-4d085dc5ca58cf974b7e |
| Source of Spectrum | E1-38-2282-7 |
| Wiley ID | 1518410 |