![#1;RHEEDEIOSIDE-A;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMINO-2](/api/spectrum/BAP4NFxMyMf/structure.png?h=300&w=458 "#1;RHEEDEIOSIDE-A;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMINO-2")
| SpectraBase Compound ID | 5FN7YqDCZGV |
|---|---|
| InChI | InChI=1S/C72H115NO37/c1-27(76)73-40-51(106-59-47(87)41(81)31(78)20-97-59)45(85)36(24-100-62-50(90)52(46(86)35(104-62)23-96-28(2)77)107-60-48(88)42(82)32(79)21-98-60)103-58(40)105-39-13-14-68(7)37(67(39,5)6)12-15-69(8)38(68)11-10-29-30-18-66(3,4)16-17-72(30,56(92)55(91)70(29,69)9)65(94)110-63-54(109-61-49(89)43(83)33(80)22-99-61)53(44(84)34(19-74)102-63)108-64-57(93)71(95,25-75)26-101-64/h10,30-64,74-75,78-93,95H,11-26H2,1-9H3,(H,73,76)/t30-,31+,32+,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-,53-,54+,55-,56+,57-,58-,59-,60-,61-,62+,63-,64-,68-,69+,70-,71+,72+/m0/s1 |
| InChIKey | QIEQNQDSNRMPLE-RCQYUASPSA-N |
| Mol Weight | 1586.7 g/mol |
| Molecular Formula | C72H115NO37 |
| Exact Mass | 1585.714794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BAP4NFxMyMf |
|---|---|
| Name | #1;RHEEDEIOSIDE-A;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMINO-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H115NO37 |
| InChI | InChI=1S/C72H115NO37/c1-27(76)73-40-51(106-59-47(87)41(81)31(78)20-97-59)45(85)36(24-100-62-50(90)52(46(86)35(104-62)23-96-28(2)77)107-60-48(88)42(82)32(79)21-98-60)103-58(40)105-39-13-14-68(7)37(67(39,5)6)12-15-69(8)38(68)11-10-29-30-18-66(3,4)16-17-72(30,56(92)55(91)70(29,69)9)65(94)110-63-54(109-61-49(89)43(83)33(80)22-99-61)53(44(84)34(19-74)102-63)108-64-57(93)71(95,25-75)26-101-64/h10,30-64,74-75,78-93,95H,11-26H2,1-9H3,(H,73,76)/t30-,31+,32+,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-,53-,54+,55-,56+,57-,58-,59-,60-,61-,62+,63-,64-,68-,69+,70-,71+,72+/m0/s1 |
| InChIKey | QIEQNQDSNRMPLE-RCQYUASPSA-N |
| Literature Reference Author | S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,466(2011) |
| Literature Reference DOI | 10.1248/cpb.59.466 |
| Molecular Weight | 1586.690 g/mol |
| Source File Reference | UWIR3119 |