![#2;RHEEDEIOSIDE-B;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMINO-2-DEOXY-BETA](/api/spectrum/JQbVFFY7Z13/structure.png?h=300&w=458 "#2;RHEEDEIOSIDE-B;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMINO-2-DEOXY-BETA")
| SpectraBase Compound ID | GKpKGAHg3k7 |
|---|---|
| InChI | InChI=1S/C70H113NO36/c1-26(75)71-38-49(103-57-45(85)39(79)29(76)20-94-57)44(84)34(23-97-60-48(88)50(42(82)32(18-72)99-60)104-58-46(86)40(80)30(77)21-95-58)101-56(38)102-37-12-13-66(6)35(65(37,4)5)11-14-67(7)36(66)10-9-27-28-17-64(2,3)15-16-70(28,54(90)53(89)68(27,67)8)63(92)107-61-52(106-59-47(87)41(81)31(78)22-96-59)51(43(83)33(19-73)100-61)105-62-55(91)69(93,24-74)25-98-62/h9,28-62,72-74,76-91,93H,10-25H2,1-8H3,(H,71,75)/t28-,29+,30+,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-,66-,67+,68-,69+,70+/m0/s1 |
| InChIKey | AEXYAGGGPAIQAA-NDZCRENHSA-N |
| Mol Weight | 1544.6 g/mol |
| Molecular Formula | C70H113NO36 |
| Exact Mass | 1543.704229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQbVFFY7Z13 |
|---|---|
| Name | #2;RHEEDEIOSIDE-B;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMINO-2-DEOXY-BETA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H113NO36 |
| InChI | InChI=1S/C70H113NO36/c1-26(75)71-38-49(103-57-45(85)39(79)29(76)20-94-57)44(84)34(23-97-60-48(88)50(42(82)32(18-72)99-60)104-58-46(86)40(80)30(77)21-95-58)101-56(38)102-37-12-13-66(6)35(65(37,4)5)11-14-67(7)36(66)10-9-27-28-17-64(2,3)15-16-70(28,54(90)53(89)68(27,67)8)63(92)107-61-52(106-59-47(87)41(81)31(78)22-96-59)51(43(83)33(19-73)100-61)105-62-55(91)69(93,24-74)25-98-62/h9,28-62,72-74,76-91,93H,10-25H2,1-8H3,(H,71,75)/t28-,29+,30+,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-,66-,67+,68-,69+,70+/m0/s1 |
| InChIKey | AEXYAGGGPAIQAA-NDZCRENHSA-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 | 1544.652 g/mol |
| Source File Reference | UWIR3121 |