| SpectraBase Compound ID | AyKvg4dHP9J |
|---|---|
| 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-/m0/s1 |
| InChIKey | NDHYGFMCXMXPOB-SAJPTYQYSA-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 | HSaWGDqoamD |
|---|---|
| Name | PETRATETRAYNDIOL_C |
| 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-/m0/s1 |
| InChIKey | NDHYGFMCXMXPOB-SAJPTYQYSA-N |
| Literature Reference Author | Y.J.LIM,J.S.KIM,K.S.IM,J.H.JUNG,C.O.LEE,J.HONG,D.K.KIM |
| Literature Reference Citation | J.NAT.PROD.,62,1215(1999) |
| Literature Reference DOI | 10.1021/np9900371 |
| Molecular Weight | 669.044 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ2615 |