| SpectraBase Compound ID | 73h2izGf25C |
|---|---|
| InChI | InChI=1S/C57H94O26/c1-21(20-73-50-42(67)40(65)37(62)32(18-58)78-50)10-15-57(72)22(2)34-31(83-57)17-30-28-9-8-26-16-27(11-13-55(26,6)29(28)12-14-56(30,34)7)77-54-49(82-52-44(69)39(64)36(61)24(4)75-52)46(71)48(33(19-59)79-54)81-53-45(70)41(66)47(25(5)76-53)80-51-43(68)38(63)35(60)23(3)74-51/h8,21-25,27-54,58-72H,9-20H2,1-7H3/t21-,22+,23-,24+,25+,27+,28-,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-/m1/s1 |
| InChIKey | YHKROSUJLZTZDS-QCTHIOJDSA-N |
| Mol Weight | 1195.4 g/mol |
| Molecular Formula | C57H94O26 |
| Exact Mass | 1194.603333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fdyi6IOqfwN |
|---|---|
| Name | SAPONIN-A;DICHOTOMIN-[(25R)-FUROST-5-ENE-3-BETA,22-ALPHA,26-TRIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H94O26 |
| InChI | InChI=1S/C57H94O26/c1-21(20-73-50-42(67)40(65)37(62)32(18-58)78-50)10-15-57(72)22(2)34-31(83-57)17-30-28-9-8-26-16-27(11-13-55(26,6)29(28)12-14-56(30,34)7)77-54-49(82-52-44(69)39(64)36(61)24(4)75-52)46(71)48(33(19-59)79-54)81-53-45(70)41(66)47(25(5)76-53)80-51-43(68)38(63)35(60)23(3)74-51/h8,21-25,27-54,58-72H,9-20H2,1-7H3/t21-,22+,23-,24+,25+,27+,28-,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-/m1/s1 |
| InChIKey | YHKROSUJLZTZDS-QCTHIOJDSA-N |
| Literature Reference Author | S.T.LEE,R.B.MITCHELL,Z.WANG,C.HEISS,D.R.GARDNER,P.AZADI |
| Literature Reference Citation | J.AGR.FOOD.CHEM.,57,2599(2009) |
| Literature Reference DOI | 10.1021/jf803907y |
| Molecular Weight | 1195.358 g/mol |
| Sample ID | 67977 |
| Solvent | C5D5N |