![ENT-14-LABDEN-8-BETA-OL_13-ALPHA-O-[BETA-D-QUINOVOPYRANOSYL-(1->2)-3'-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL]-19-O-ALPHA-L-RHAMNOPYRANOSIDE](/api/spectrum/80sLJmfmfLX/structure.png?h=300&w=458 "ENT-14-LABDEN-8-BETA-OL_13-ALPHA-O-[BETA-D-QUINOVOPYRANOSYL-(1->2)-3'-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL]-19-O-ALPHA-L-RHAMNOPYRANOSIDE")
| SpectraBase Compound ID | 8diB6e5dH0t |
|---|---|
| InChI | InChI=1S/C40H68O16/c1-10-38(7,56-36-33(32(54-22(5)41)27(44)21(4)53-36)55-35-31(48)29(46)26(43)20(3)52-35)16-12-24-39(8)15-11-14-37(6,23(39)13-17-40(24,9)49)18-50-34-30(47)28(45)25(42)19(2)51-34/h10,19-21,23-36,42-49H,1,11-18H2,2-9H3/t19-,20-,21+,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40-/m1/s1 |
| InChIKey | ZYBWTABRXPTYQJ-CXTMXGLVSA-N |
| Mol Weight | 805.0 g/mol |
| Molecular Formula | C40H68O16 |
| Exact Mass | 804.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80sLJmfmfLX |
|---|---|
| Name | ENT-14-LABDEN-8-BETA-OL_13-ALPHA-O-[BETA-D-QUINOVOPYRANOSYL-(1->2)-3'-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL]-19-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 1N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68O16 |
| InChI | InChI=1S/C40H68O16/c1-10-38(7,56-36-33(32(54-22(5)41)27(44)21(4)53-36)55-35-31(48)29(46)26(43)20(3)52-35)16-12-24-39(8)15-11-14-37(6,23(39)13-17-40(24,9)49)18-50-34-30(47)28(45)25(42)19(2)51-34/h10,19-21,23-36,42-49H,1,11-18H2,2-9H3/t19-,20-,21+,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40-/m1/s1 |
| InChIKey | ZYBWTABRXPTYQJ-CXTMXGLVSA-N |
| Literature Reference Author | C.SOCOLSKY,Y.ASAKAWA,A.BARDON |
| Literature Reference Citation | J.NAT.PROD.,70,1837(2007) |
| Literature Reference DOI | 10.1021/np070119m |
| Molecular Weight | 804.970 g/mol |
| Sample ID | 31118 |
| Solvent | CD3OD |