![#2;CONGMUYENOSIDE_B;BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-HEDERAGENIN](/api/spectrum/JOyLffsaVd6/structure.png?h=300&w=458 "#2;CONGMUYENOSIDE_B;BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-HEDERAGENIN")
| SpectraBase Compound ID | FIMQkDAUmU8 |
|---|---|
| InChI | InChI=1S/C54H88O24/c1-49(2)13-15-54(48(69)70)16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(51(4,22-59)29(50)9-12-53(30,52)6)75-47-43(78-45-39(67)37(65)33(61)26(19-56)72-45)42(35(63)28(21-58)74-47)77-46-40(68)41(34(62)27(20-57)73-46)76-44-38(66)36(64)32(60)25(18-55)71-44/h7,24-47,55-68H,8-22H2,1-6H3,(H,69,70)/t24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38-,39+,40-,41+,42+,43-,44+,45-,46+,47+,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | MHWNGPOVHRXJTF-IZRDRNIKSA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C54H88O24 |
| Exact Mass | 1120.566554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOyLffsaVd6 |
|---|---|
| Name | #2;CONGMUYENOSIDE_B;BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-HEDERAGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O24 |
| InChI | InChI=1S/C54H88O24/c1-49(2)13-15-54(48(69)70)16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(51(4,22-59)29(50)9-12-53(30,52)6)75-47-43(78-45-39(67)37(65)33(61)26(19-56)72-45)42(35(63)28(21-58)74-47)77-46-40(68)41(34(62)27(20-57)73-46)76-44-38(66)36(64)32(60)25(18-55)71-44/h7,24-47,55-68H,8-22H2,1-6H3,(H,69,70)/t24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38-,39+,40-,41+,42+,43-,44+,45-,46+,47+,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | MHWNGPOVHRXJTF-IZRDRNIKSA-N |
| Literature Reference Author | H.X.KUANG,H.SUN,N.ZHANG,Y.OKADA,T.OKUYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,2183(1996) |
| Literature Reference DOI | 10.1248/cpb.44.2183 |
| Molecular Weight | 1121.278 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17354 |