![#3;ACANJAPOSIDE-F;3-BETA,29-DIHYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/8YsmZ96niIc/structure.png?h=300&w=458 "#3;ACANJAPOSIDE-F;3-BETA,29-DIHYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | D3sKfiMUPsK |
|---|---|
| InChI | InChI=1S/C48H76O20/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(2,20-50)17-23(48)22-7-8-26-44(3)11-10-28(51)47(6,41(60)61)27(44)9-12-46(26,5)45(22,4)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(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 | BXUJFVCLKLXFAT-GIVXFKEYSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8YsmZ96niIc |
|---|---|
| Name | #3;ACANJAPOSIDE-F;3-BETA,29-DIHYDROXY-OLEAN-12-EN-23,28-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 | C48H76O20 |
| InChI | InChI=1S/C48H76O20/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(2,20-50)17-23(48)22-7-8-26-44(3)11-10-28(51)47(6,41(60)61)27(44)9-12-46(26,5)45(22,4)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(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 | BXUJFVCLKLXFAT-GIVXFKEYSA-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 | 973.119 g/mol |
| Sample ID | 54134 |
| Solvent | C5D5N |