| SpectraBase Compound ID | 3pa13TiT8Rb |
|---|---|
| InChI | InChI=1S/C60H98O27/c1-24-34(64)37(67)42(72)50(79-24)85-47-25(2)80-49(45(75)40(47)70)78-22-30-36(66)39(69)43(73)52(83-30)86-48-29(21-62)82-51(46(76)41(48)71)84-33-12-13-56(5)31(57(33,6)23-63)11-14-59(8)32(56)10-9-26-27-19-55(3,4)15-17-60(27,18-16-58(26,59)7)54(77)87-53-44(74)38(68)35(65)28(20-61)81-53/h9,24-25,27-53,61-76H,10-23H2,1-8H3/t24-,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-,56?,57-,58?,59?,60-/m0/s1 |
| InChIKey | XHEBKCFNBLKDGO-XEAFJUPSSA-N |
| Mol Weight | 1251.4 g/mol |
| Molecular Formula | C60H98O27 |
| Exact Mass | 1250.629548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Gi2BbMVT8f |
|---|---|
| Name | 3-BETA-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-HEDERAGENIN_28-O-BETA-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H98O27 |
| InChI | InChI=1S/C60H98O27/c1-24-34(64)37(67)42(72)50(79-24)85-47-25(2)80-49(45(75)40(47)70)78-22-30-36(66)39(69)43(73)52(83-30)86-48-29(21-62)82-51(46(76)41(48)71)84-33-12-13-56(5)31(57(33,6)23-63)11-14-59(8)32(56)10-9-26-27-19-55(3,4)15-17-60(27,18-16-58(26,59)7)54(77)87-53-44(74)38(68)35(65)28(20-61)81-53/h9,24-25,27-53,61-76H,10-23H2,1-8H3/t24-,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-,56?,57-,58?,59?,60-/m0/s1 |
| InChIKey | XHEBKCFNBLKDGO-XEAFJUPSSA-N |
| Literature Reference Author | N.D.TOMMASI,C.PIZZA,A.BELLINO,P.VENTURELLA |
| Literature Reference Citation | J.NAT.PROD.,60,1070(1997) |
| Literature Reference DOI | 10.1021/np970263f |
| Molecular Weight | 1251.422 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ11946 |