| SpectraBase Compound ID | JE4UYaiD8LV |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-18(8-7-12-25(2,3)35)19-11-13-27(5)20-9-10-21-28(6,24(33)34)22(31)16-23(32)30(21)17-29(20,30)15-14-26(19,27)4/h7,12,18-23,31-32,35H,8-11,13-17H2,1-6H3,(H,33,34)/b12-7-/t18-,19-,20+,21+,22+,23+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | FHXLGIIQMAKDCP-CHXITZBTSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqmDXZTAJHt |
|---|---|
| Name | QUADRANGULARIC-ACID-K |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-18(8-7-12-25(2,3)35)19-11-13-27(5)20-9-10-21-28(6,24(33)34)22(31)16-23(32)30(21)17-29(20,30)15-14-26(19,27)4/h7,12,18-23,31-32,35H,8-11,13-17H2,1-6H3,(H,33,34)/b12-7-/t18-,19-,20+,21+,22+,23+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | FHXLGIIQMAKDCP-CHXITZBTSA-N |
| Literature Reference Author | A.H.BANSKOTA,Y.TEZUKA,K.Q.TRAN,K.TANAKA,I.SAIKI,S.KADOTA |
| Literature Reference Citation | J.NAT.PROD.,63,57(2000) |
| Literature Reference DOI | 10.1021/np990336q |
| Molecular Weight | 488.708 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU1683 |