| SpectraBase Compound ID | DJgQmuPX2w2 |
|---|---|
| InChI | InChI=1S/C50H74O2/c1-38(2)27-32-47(50(12,13)52)34-28-42(6)25-18-24-41(5)23-16-21-39(3)19-14-15-20-40(4)22-17-26-43(7)30-36-48-45(9)31-35-46(49(48,10)11)33-29-44(8)37-51/h14-27,29-30,36,46-47,51-52H,28,31-35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46-,47-/m0/s1 |
| InChIKey | UOGZNTWAFCMEMT-CRMHKKGUSA-N |
| Mol Weight | 707.1 g/mol |
| Molecular Formula | C50H74O2 |
| Exact Mass | 706.568882 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 38HOSEa4pmB |
|---|---|
| Name | (all-E,2R,2'R)-2-(4-Hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H74O2 |
| InChI | InChI=1S/C50H74O2/c1-38(2)27-32-47(50(12,13)52)34-28-42(6)25-18-24-41(5)23-16-21-39(3)19-14-15-20-40(4)22-17-26-43(7)30-36-48-45(9)31-35-46(49(48,10)11)33-29-44(8)37-51/h14-27,29-30,36,46-47,51-52H,28,31-35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46-,47-/m0/s1 |
| InChIKey | UOGZNTWAFCMEMT-CRMHKKGUSA-N |
| Molecular Weight | 707.140 g/mol |
| SMILES | OC\C(=C\C[C@@]1(C(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(CC[C@@](C(O)(C)C)(CC=C(C)C)[H])C)C)C)C)C)=C(CC1)C)(C)C)[H])C |
| SPLASH | splash10-052f-9200000000-dd8e7fffd77cf0e5ff30 |
| Source of Spectrum | H-83-335-6 |
| Wiley ID | 846974 |