| SpectraBase Compound ID | KiC96rtZlgx |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-19(9-8-13-26(2,3)36-7)20-12-14-28(5)21-10-11-22-29(6,25(34)35)23(32)17-24(33)31(22)18-30(21,31)16-15-27(20,28)4/h8,13,19-24,32-33H,9-12,14-18H2,1-7H3,(H,34,35)/b13-8+/t19-,20-,21+,22+,23+,24+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | CJMHKPWFQAETJT-JPBBCIATSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkBxZ8HKsU8 |
|---|---|
| Name | QUADRANGULARIC-ACID-J |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-19(9-8-13-26(2,3)36-7)20-12-14-28(5)21-10-11-22-29(6,25(34)35)23(32)17-24(33)31(22)18-30(21,31)16-15-27(20,28)4/h8,13,19-24,32-33H,9-12,14-18H2,1-7H3,(H,34,35)/b13-8+/t19-,20-,21+,22+,23+,24+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | CJMHKPWFQAETJT-JPBBCIATSA-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 | 502.735 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU1682 |