| SpectraBase Compound ID | LqJwxqcBhLr |
|---|---|
| InChI | InChI=1S/C65H104O31/c1-24-34(68)39(73)44(78)54(87-24)94-51-42(76)35(69)25(2)88-58(51)95-50-36(70)28(67)22-85-57(50)92-48-46(80)49(52(82)83)93-56(47(48)81)91-33-13-14-62(7)31(61(33,5)6)12-15-64(9)32(62)11-10-26-27-20-60(3,4)16-18-65(27,19-17-63(26,64)8)59(84)96-55-45(79)41(75)38(72)30(90-55)23-86-53-43(77)40(74)37(71)29(21-66)89-53/h10,24-25,27-51,53-58,66-81H,11-23H2,1-9H3,(H,82,83)/t24-,25-,27?,28-,29+,30+,31?,32?,33-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50+,51+,53+,54+,55-,56+,57+,58+,62-,63+,64+,65-/m0/s1 |
| InChIKey | NCDAHLFDEFPAAS-LOGSBJGFSA-N |
| Mol Weight | 1381.5 g/mol |
| Molecular Formula | C65H104O31 |
| Exact Mass | 1380.656157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELgfaKwMy1T |
|---|---|
| Name | GUAIANIN-I;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCORONOPYRANOSYL-OLEANOLIC-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H104O31 |
| InChI | InChI=1S/C65H104O31/c1-24-34(68)39(73)44(78)54(87-24)94-51-42(76)35(69)25(2)88-58(51)95-50-36(70)28(67)22-85-57(50)92-48-46(80)49(52(82)83)93-56(47(48)81)91-33-13-14-62(7)31(61(33,5)6)12-15-64(9)32(62)11-10-26-27-20-60(3,4)16-18-65(27,19-17-63(26,64)8)59(84)96-55-45(79)41(75)38(72)30(90-55)23-86-53-43(77)40(74)37(71)29(21-66)89-53/h10,24-25,27-51,53-58,66-81H,11-23H2,1-9H3,(H,82,83)/t24-,25-,27?,28-,29+,30+,31?,32?,33-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50+,51+,53+,54+,55-,56+,57+,58+,62-,63+,64+,65-/m0/s1 |
| InChIKey | NCDAHLFDEFPAAS-LOGSBJGFSA-N |
| Literature Reference Author | V.U.AHMAD,S.UDDIN,S.BANO |
| Literature Reference Citation | J.NAT.PROD.,53,1168(1990) |
| Literature Reference DOI | 10.1021/np50071a005 |
| Molecular Weight | 1381.522 g/mol |
| Solvent | CD3OD:D2O |
| Source File Reference | UWRU202 |