| SpectraBase Compound ID | IO3sAq3xl7Q |
|---|---|
| InChI | InChI=1S/C46H68O2/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/h1-2,5-6,21-22,27-28,34,37,39,42,45-48H,7-20,23-26,29-33,35-36,38H2/b6-5-,22-21-,28-27-,37-34+,42-39+/t45-,46-/m0/s1 |
| InChIKey | SIVHBQCTWBWNEN-NJHYYSMGSA-N |
| Mol Weight | 653.0 g/mol |
| Molecular Formula | C46H68O2 |
| Exact Mass | 652.521931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWfZwz9CnZG |
|---|---|
| Name | PETROTETRAYNDIOL-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H68O2 |
| InChI | InChI=1S/C46H68O2/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/h1-2,5-6,21-22,27-28,34,37,39,42,45-48H,7-20,23-26,29-33,35-36,38H2/b6-5-,22-21-,28-27-,37-34+,42-39+/t45-,46-/m0/s1 |
| InChIKey | SIVHBQCTWBWNEN-NJHYYSMGSA-N |
| Literature Reference Author | J.S.KIM,Y.J.LIM,K.S.IM,J.H.JUNG,C.J.SHIM,C.O.LEE,J.HONG,H.LE E |
| Literature Reference Citation | J.NAT.PROD.,62,554(1999) |
| Literature Reference DOI | 10.1021/np9803427 |
| Molecular Weight | 653.045 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWGE1176 |