| SpectraBase Compound ID | JYtNpnbDU3s |
|---|---|
| InChI | InChI=1S/C71H108O27/c1-35-61(44(81-9)28-53(86-35)91-43-22-23-67(7)42(27-43)21-24-70(79)50(67)33-51(93-52(74)20-19-41-17-15-14-16-18-41)68(8)69(78,40(6)73)25-26-71(68,70)80)94-54-29-45(82-10)62(36(2)87-54)95-55-30-46(83-11)63(37(3)88-55)96-56-31-47(84-12)64(38(4)89-56)97-57-32-48(85-13)65(39(5)90-57)98-66-60(77)59(76)58(75)49(34-72)92-66/h14-21,35-39,43-51,53-66,72,75-80H,22-34H2,1-13H3/b20-19+/t35-,36+,37-,38+,39-,43+,44+,45-,46-,47-,48+,49+,50?,51-,53+,54-,55+,56-,57+,58+,59-,60+,61-,62+,63-,64+,65-,66-,67+,68-,69-,70+,71-/m1/s1 |
| InChIKey | AJMOVVBHLODKHK-OUDUUNOPSA-N |
| Mol Weight | 1393.6 g/mol |
| Molecular Formula | C71H108O27 |
| Exact Mass | 1392.707798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnCCsyRZitO |
|---|---|
| Name | MARSTOMENTOSIDE-Q;KIDJOLANIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSY- |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H108O27 |
| InChI | InChI=1S/C71H108O27/c1-35-61(44(81-9)28-53(86-35)91-43-22-23-67(7)42(27-43)21-24-70(79)50(67)33-51(93-52(74)20-19-41-17-15-14-16-18-41)68(8)69(78,40(6)73)25-26-71(68,70)80)94-54-29-45(82-10)62(36(2)87-54)95-55-30-46(83-11)63(37(3)88-55)96-56-31-47(84-12)64(38(4)89-56)97-57-32-48(85-13)65(39(5)90-57)98-66-60(77)59(76)58(75)49(34-72)92-66/h14-21,35-39,43-51,53-66,72,75-80H,22-34H2,1-13H3/b20-19+/t35-,36+,37-,38+,39-,43+,44+,45-,46-,47-,48+,49+,50?,51-,53+,54-,55+,56-,57+,58+,59-,60+,61-,62+,63-,64+,65-,66-,67+,68-,69-,70+,71-/m1/s1 |
| InChIKey | AJMOVVBHLODKHK-OUDUUNOPSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,K.HONDA,N.HAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,154(2000) |
| Literature Reference DOI | 10.1248/cpb.48.154 |
| Molecular Weight | 1393.622 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4887 |