![#3;RHEEDEIOSIDE-C;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/67Os2yqjoDt/structure.png?h=300&w=458 "#3;RHEEDEIOSIDE-C;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 | 8xrjx2CF699 |
|---|---|
| InChI | InChI=1S/C72H115NO37/c1-26(75)73-40-53(106-60-48(88)41(81)30(77)20-97-60)46(86)36(25-101-64-52(92)54(47(87)35(104-64)24-96-27(2)76)107-61-49(89)42(82)31(78)21-98-61)103-59(40)105-39-13-14-69(7)37(68(39,5)6)12-15-70(8)38(69)11-10-28-29-18-67(3,4)16-17-72(29,58(94)57(93)71(28,70)9)66(95)110-65-56(109-63-51(91)44(84)33(80)23-100-63)55(45(85)34(19-74)102-65)108-62-50(90)43(83)32(79)22-99-62/h10,29-65,74,77-94H,11-25H2,1-9H3,(H,73,75)/t29-,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-,63-,64+,65-,69-,70+,71-,72+/m0/s1 |
| InChIKey | BMCRMSKLUKHHNO-PDVXVJKSSA-N |
| Mol Weight | 1586.7 g/mol |
| Molecular Formula | C72H115NO37 |
| Exact Mass | 1585.714794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67Os2yqjoDt |
|---|---|
| Name | #3;RHEEDEIOSIDE-C;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/c1-26(75)73-40-53(106-60-48(88)41(81)30(77)20-97-60)46(86)36(25-101-64-52(92)54(47(87)35(104-64)24-96-27(2)76)107-61-49(89)42(82)31(78)21-98-61)103-59(40)105-39-13-14-69(7)37(68(39,5)6)12-15-70(8)38(69)11-10-28-29-18-67(3,4)16-17-72(29,58(94)57(93)71(28,70)9)66(95)110-65-56(109-63-51(91)44(84)33(80)23-100-63)55(45(85)34(19-74)102-65)108-62-50(90)43(83)32(79)22-99-62/h10,29-65,74,77-94H,11-25H2,1-9H3,(H,73,75)/t29-,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-,63-,64+,65-,69-,70+,71-,72+/m0/s1 |
| InChIKey | BMCRMSKLUKHHNO-PDVXVJKSSA-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 | UWIR3122 |