| SpectraBase Compound ID | H4Rmk9Ddp8O |
|---|---|
| InChI | InChI=1S/C66H105NO32/c1-26(69)67-38-44(79)42(77)33(23-91-56-48(41(76)32(73)21-90-56)97-54-45(80)39(74)30(71)19-88-54)93-53(38)95-37-13-14-62(7)35(61(37,5)6)12-15-63(8)36(62)11-10-28-29-18-60(3,4)16-17-66(29,51(83)50(82)64(28,63)9)59(85)99-57-49(98-55-46(81)40(75)31(72)20-89-55)47(43(78)34(94-57)22-87-27(2)70)96-58-52(84)65(86,24-68)25-92-58/h10,29-58,68,71-84,86H,11-25H2,1-9H3,(H,67,69)/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-,62-,63+,64-,65+,66+/m0/s1 |
| InChIKey | QLWJYQLCNPDXNH-KASKALOQSA-N |
| Mol Weight | 1424.5 g/mol |
| Molecular Formula | C66H105NO32 |
| Exact Mass | 1423.66197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ye6WCsBcPR |
|---|---|
| Name | #4;RHEEDEIOSIDE-D;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-2-ACETYLAMINO-2-DEOXY-BETA-D-GLUCOPYRANOSYL-28-O-BETA-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H105NO32 |
| InChI | InChI=1S/C66H105NO32/c1-26(69)67-38-44(79)42(77)33(23-91-56-48(41(76)32(73)21-90-56)97-54-45(80)39(74)30(71)19-88-54)93-53(38)95-37-13-14-62(7)35(61(37,5)6)12-15-63(8)36(62)11-10-28-29-18-60(3,4)16-17-66(29,51(83)50(82)64(28,63)9)59(85)99-57-49(98-55-46(81)40(75)31(72)20-89-55)47(43(78)34(94-57)22-87-27(2)70)96-58-52(84)65(86,24-68)25-92-58/h10,29-58,68,71-84,86H,11-25H2,1-9H3,(H,67,69)/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-,62-,63+,64-,65+,66+/m0/s1 |
| InChIKey | QLWJYQLCNPDXNH-KASKALOQSA-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 | 1424.547 g/mol |
| Source File Reference | UWIR3123 |