| SpectraBase Compound ID | 9f37keEKXxY |
|---|---|
| InChI | InChI=1S/C72H103NO27/c1-36-60(96-54-31-47(85-10)61(37(2)89-54)97-55-32-48(86-11)62(38(3)90-55)98-67-59(80)64(87-12)63(39(4)91-67)99-66-58(79)57(78)56(77)49(35-74)94-66)46(84-9)30-53(88-36)93-45-23-24-68(7)44(29-45)22-25-70(82)50(68)33-51(95-65(81)43-19-16-28-73-34-43)69(8)71(100-41(6)75,26-27-72(69,70)83)40(5)92-52(76)21-20-42-17-14-13-15-18-42/h13-22,28,34,36-40,45-51,53-64,66-67,74,77-80,82-83H,23-27,29-33,35H2,1-12H3/b21-20+/t36-,37+,38-,39+,40?,45+,46+,47-,48-,49-,50?,51?,53+,54-,55+,56-,57+,58-,59+,60-,61+,62-,63+,64-,66+,67-,68+,69-,70+,71+,72-/m1/s1 |
| InChIKey | RRZISSWHHNJDEU-ITTKANPQSA-N |
| Mol Weight | 1414.6 g/mol |
| Molecular Formula | C72H103NO27 |
| Exact Mass | 1413.671747 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | w5tBHgzStB |
|---|---|
| Name | #47;3-(BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H103NO27 |
| InChI | InChI=1S/C72H103NO27/c1-36-60(96-54-31-47(85-10)61(37(2)89-54)97-55-32-48(86-11)62(38(3)90-55)98-67-59(80)64(87-12)63(39(4)91-67)99-66-58(79)57(78)56(77)49(35-74)94-66)46(84-9)30-53(88-36)93-45-23-24-68(7)44(29-45)22-25-70(82)50(68)33-51(95-65(81)43-19-16-28-73-34-43)69(8)71(100-41(6)75,26-27-72(69,70)83)40(5)92-52(76)21-20-42-17-14-13-15-18-42/h13-22,28,34,36-40,45-51,53-64,66-67,74,77-80,82-83H,23-27,29-33,35H2,1-12H3/b21-20+/t36-,37+,38-,39+,40?,45+,46+,47-,48-,49-,50?,51?,53+,54-,55+,56-,57+,58-,59+,60-,61+,62-,63+,64-,66+,67-,68+,69-,70+,71+,72-/m1/s1 |
| InChIKey | RRZISSWHHNJDEU-ITTKANPQSA-N |
| Literature Reference Author | R.AQUINO,G.PELUSO,N.DETOMMASI,F.DESIMONE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,59,555(1996) |
| Literature Reference DOI | 10.1021/np960251e |
| Molecular Weight | 1414.600 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRK853 |