![3-O-[BETA-D-APIOFURANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-](/api/spectrum/13CMGirtrk8/structure.png?h=300&w=458 "3-O-[BETA-D-APIOFURANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-")
| SpectraBase Compound ID | EMALJJJ8zqI |
|---|---|
| InChI | InChI=1S/C75H122O40/c1-25-38(84)42(88)45(91)61(103-25)109-52-34(82)21-100-60(48(52)94)108-51-28(4)106-64(49(95)54(51)111-62-46(92)43(89)39(85)26(2)104-62)113-56-41(87)33(81)20-101-66(56)115-68(98)75-14-13-69(5,6)15-30(75)29-11-12-36-70(7)16-32(80)59(71(8,22-77)57(70)31(79)17-73(36,10)72(29,9)18-37(75)83)114-65-50(96)55(112-63-47(93)44(90)40(86)27(3)105-63)53(35(19-76)107-65)110-67-58(97)74(99,23-78)24-102-67/h11,25-28,30-67,76-97,99H,12-24H2,1-10H3/t25-,26+,27+,28-,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-,66-,67+,70?,71-,72?,73?,74-,75+/m0/s1 |
| InChIKey | GWPHAJFBNSXAEE-LDVYLLBTSA-N |
| Mol Weight | 1663.8 g/mol |
| Molecular Formula | C75H122O40 |
| Exact Mass | 1662.751239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13CMGirtrk8 |
|---|---|
| Name | 3-O-[BETA-D-APIOFURANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL- |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H122O40 |
| InChI | InChI=1S/C75H122O40/c1-25-38(84)42(88)45(91)61(103-25)109-52-34(82)21-100-60(48(52)94)108-51-28(4)106-64(49(95)54(51)111-62-46(92)43(89)39(85)26(2)104-62)113-56-41(87)33(81)20-101-66(56)115-68(98)75-14-13-69(5,6)15-30(75)29-11-12-36-70(7)16-32(80)59(71(8,22-77)57(70)31(79)17-73(36,10)72(29,9)18-37(75)83)114-65-50(96)55(112-63-47(93)44(90)40(86)27(3)105-63)53(35(19-76)107-65)110-67-58(97)74(99,23-78)24-102-67/h11,25-28,30-67,76-97,99H,12-24H2,1-10H3/t25-,26+,27+,28-,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-,66-,67+,70?,71-,72?,73?,74-,75+/m0/s1 |
| InChIKey | GWPHAJFBNSXAEE-LDVYLLBTSA-N |
| Literature Reference Author | J.ESKANDER,C.LAVAUD,S.M.ABDEL-KHALIK,H.S.M.SOLIMAN,I.I.MAHMO UD,C.LONG |
| Literature Reference Citation | J.NAT.PROD.,68,832(2005) |
| Literature Reference DOI | 10.1021/np049582e |
| Molecular Weight | 1663.770 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ12036 |