![#6;ACANJAPOSIDE-I;3-BETA-HYDROXY-23-OXO-OLEAN-12-EN-28,29-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/8Vf6RhxWJBb/structure.png?h=300&w=458 "#6;ACANJAPOSIDE-I;3-BETA-HYDROXY-23-OXO-OLEAN-12-EN-28,29-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 45tagMKmrpb |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,20-21,23-40,49,51-59H,8-19H2,1-6H3,(H,60,61)/t21-,23+,24-,25-,26-,27-,28+,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | MJFIODRAIHYWMR-SQDVBBJJSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Vf6RhxWJBb |
|---|---|
| Name | #6;ACANJAPOSIDE-I;3-BETA-HYDROXY-23-OXO-OLEAN-12-EN-28,29-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,20-21,23-40,49,51-59H,8-19H2,1-6H3,(H,60,61)/t21-,23+,24-,25-,26-,27-,28+,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | MJFIODRAIHYWMR-SQDVBBJJSA-N |
| Literature Reference Author | S.Y.PARK,C.S.YOOK,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,1147(2005) |
| Literature Reference DOI | 10.1248/cpb.53.1147 |
| Molecular Weight | 971.104 g/mol |
| Sample ID | 54140 |
| Solvent | C5D5N |