![3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)-4,6-DIDEOXY-2-O-METHYL-BETA-D-GULOPYRANOSYL)]-5-BETA,14-BETA-DIHYDROXY-19-OXOCARD-20-(22)-ENOLIDE](/api/spectrum/9z4L4Z6tXFg/structure.png?h=300&w=458 "3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)-4,6-DIDEOXY-2-O-METHYL-BETA-D-GULOPYRANOSYL)]-5-BETA,14-BETA-DIHYDROXY-19-OXOCARD-20-(22)-ENOLIDE")
| SpectraBase Compound ID | IzXmjLjXuKL |
|---|---|
| InChI | InChI=1S/C36H54O14/c1-18-12-24(49-31-29(42)28(41)27(40)25(15-37)50-31)30(45-3)32(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-13-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h13,17-18,20-25,27-32,37,40-44H,4-12,14-16H2,1-3H3/t18-,20+,21-,22+,23-,24-,25-,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+/m1/s1 |
| InChIKey | VTQWFYXLYNJGCR-OJSOPAHASA-N |
| Mol Weight | 710.8 g/mol |
| Molecular Formula | C36H54O14 |
| Exact Mass | 710.351356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9z4L4Z6tXFg |
|---|---|
| Name | 3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)-4,6-DIDEOXY-2-O-METHYL-BETA-D-GULOPYRANOSYL)]-5-BETA,14-BETA-DIHYDROXY-19-OXOCARD-20-(22)-ENOLIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O14 |
| InChI | InChI=1S/C36H54O14/c1-18-12-24(49-31-29(42)28(41)27(40)25(15-37)50-31)30(45-3)32(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-13-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h13,17-18,20-25,27-32,37,40-44H,4-12,14-16H2,1-3H3/t18-,20+,21-,22+,23-,24-,25-,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+/m1/s1 |
| InChIKey | VTQWFYXLYNJGCR-OJSOPAHASA-N |
| Literature Reference Author | P.KLAUSMEYER,Q.ZHOU,D.A.SCUDIERO,B.URANCHIMEG,G.MELILLO,J.H. CARDELLINA,R.H.SHOWM |
| Literature Reference Citation | J.NAT.PROD.,72,805(2009) |
| Literature Reference DOI | 10.1021/np8006342 |
| Molecular Weight | 710.816 g/mol |
| Sample ID | 32509 |
| Solvent | DMSO-D6 |