| SpectraBase Compound ID | Je3n2scPjU5 |
|---|---|
| InChI | InChI=1S/C33H42O14/c1-10-31(8,47-19(7)37)30(41)46-26-23-15(3)25(43-17(5)35)24(39)27-32(9)20(14(2)11-21(38)28(32)44-18(6)36)12-22(45-29(26)40)33(23,27)13-42-16(4)34/h11,15,20,22-23,25-28H,10,12-13H2,1-9H3/t15-,20+,22-,23-,25-,26-,27-,28-,31?,32+,33+/m1/s1 |
| InChIKey | MBRVWCPHUSNLDU-DHLWZXAWSA-N |
| Mol Weight | 662.7 g/mol |
| Molecular Formula | C33H42O14 |
| Exact Mass | 662.257456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7iGVvRigdE |
|---|---|
| Name | GLAUCARUBINONE-TETRAACETATE |
| CAS Registry Number | 55658-68-9 |
| Compound Number | 17A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O14 |
| InChI | InChI=1S/C33H42O14/c1-10-31(8,47-19(7)37)30(41)46-26-23-15(3)25(43-17(5)35)24(39)27-32(9)20(14(2)11-21(38)28(32)44-18(6)36)12-22(45-29(26)40)33(23,27)13-42-16(4)34/h11,15,20,22-23,25-28H,10,12-13H2,1-9H3/t15-,20+,22-,23-,25-,26-,27-,28-,31?,32+,33+/m1/s1 |
| InChIKey | MBRVWCPHUSNLDU-DHLWZXAWSA-N |
| Literature Reference Author | J.POLONSKY,Z.BASKEVITCH,H.E.GOTTLIEB,E.W.HAGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,40,2499(1975) |
| Literature Reference DOI | 10.1021/jo00905a017 |
| Molecular Weight | 662.688 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS12430 |