| SpectraBase Compound ID | 7p40XG2xj3r |
|---|---|
| InChI | InChI=1S/C46H68O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-25-30-35-40-45(48)41-36-31-26-20-17-18-21-27-32-37-42-46(49)43-38-33-28-23-22-24-29-34-39-44(47)4-2/h1-2,5-6,17,20,34-35,39-40,44,46-47,49H,7-16,18-19,21-33,36,41H2/b6-5+,20-17+,39-34+,40-35+/t44-,46-/m1/s1 |
| InChIKey | NDHYGFMCXMXPOB-FASUXHCPSA-N |
| Mol Weight | 669.0 g/mol |
| Molecular Formula | C46H68O3 |
| Exact Mass | 668.516846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKCvngbaf8w |
|---|---|
| Name | PETROTETRAYNDIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H68O3 |
| InChI | InChI=1S/C46H68O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-25-30-35-40-45(48)41-36-31-26-20-17-18-21-27-32-37-42-46(49)43-38-33-28-23-22-24-29-34-39-44(47)4-2/h1-2,5-6,17,20,34-35,39-40,44,46-47,49H,7-16,18-19,21-33,36,41H2/b6-5+,20-17+,39-34+,40-35+/t44-,46-/m1/s1 |
| InChIKey | NDHYGFMCXMXPOB-FASUXHCPSA-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 | 669.044 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP2583 |