| SpectraBase Compound ID | 1Stp3lM0DjU |
|---|---|
| InChI | InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,21-22,27-28,34,37,39,42,45-48H,5-20,23-26,29-33,35-36,38H2/b22-21+,28-27+,37-34+,42-39+/t45-,46-/m1/s1 |
| InChIKey | TXYZIRSIJCTANA-ARXCGXQVSA-N |
| Mol Weight | 655.1 g/mol |
| Molecular Formula | C46H70O2 |
| Exact Mass | 654.537581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YAvoJ1sinM |
|---|---|
| Name | PETROTETRAYNDIOL-E |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H70O2 |
| InChI | InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,21-22,27-28,34,37,39,42,45-48H,5-20,23-26,29-33,35-36,38H2/b22-21+,28-27+,37-34+,42-39+/t45-,46-/m1/s1 |
| InChIKey | TXYZIRSIJCTANA-ARXCGXQVSA-N |
| Literature Reference Author | Y.J.LIM,H.S.PARK,K.S.IM,C.O.LEE,J.HONG,M.Y.LEE,D.K.KIM,J.H.J UNG |
| Literature Reference Citation | J.NAT.PROD.,64,46(2001) |
| Literature Reference DOI | 10.1021/np000252d |
| Molecular Weight | 655.061 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP2590 |