![#2;(11S)-[[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-ISOBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-2-O-(2S)-METHYLBUTHANOYL-ALPH](/api/spectrum/DnQeR17Ojfv/structure.png?h=300&w=458 "#2;(11S)-[[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-ISOBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-2-O-(2S)-METHYLBUTHANOYL-ALPH")
| SpectraBase Compound ID | DEZt8otxROv |
|---|---|
| InChI | InChI=1S/C64H100O25/c1-11-13-20-27-40-28-23-17-15-14-16-18-24-29-41(65)82-55-49(73)51(37(9)79-63(55)88-53-46(70)44(68)35(7)77-61(53)81-40)86-64-57(85-59(75)33(5)12-2)56(89-60-47(71)45(69)43(67)34(6)76-60)52(38(10)80-64)87-62-54(83-42(66)31-30-39-25-21-19-22-26-39)48(72)50(36(8)78-62)84-58(74)32(3)4/h19,21-22,25-26,30-38,40,43-57,60-64,67-73H,11-18,20,23-24,27-29H2,1-10H3/b31-30+/t33-,34+,35-,36+,37+,38+,40+,43+,44+,45-,46+,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,60+,61+,62+,63+,64+/m1/s1 |
| InChIKey | UQBJFZAVJBNKFD-ZUPZSNDVSA-N |
| Mol Weight | 1269.5 g/mol |
| Molecular Formula | C64H100O25 |
| Exact Mass | 1268.655369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnQeR17Ojfv |
|---|---|
| Name | #2;(11S)-[[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-ISOBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-2-O-(2S)-METHYLBUTHANOYL-ALPH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O25 |
| InChI | InChI=1S/C64H100O25/c1-11-13-20-27-40-28-23-17-15-14-16-18-24-29-41(65)82-55-49(73)51(37(9)79-63(55)88-53-46(70)44(68)35(7)77-61(53)81-40)86-64-57(85-59(75)33(5)12-2)56(89-60-47(71)45(69)43(67)34(6)76-60)52(38(10)80-64)87-62-54(83-42(66)31-30-39-25-21-19-22-26-39)48(72)50(36(8)78-62)84-58(74)32(3)4/h19,21-22,25-26,30-38,40,43-57,60-64,67-73H,11-18,20,23-24,27-29H2,1-10H3/b31-30+/t33-,34+,35-,36+,37+,38+,40+,43+,44+,45-,46+,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,60+,61+,62+,63+,64+/m1/s1 |
| InChIKey | UQBJFZAVJBNKFD-ZUPZSNDVSA-N |
| Literature Reference Author | N.NODA,Y.HORIUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1607(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1607 |
| Molecular Weight | 1269.483 g/mol |
| Sample ID | 2444 |
| Solvent | C5D5N |