| SpectraBase Compound ID | 8p2xaWZmPFJ |
|---|---|
| InChI | InChI=1S/C66H90O37/c1-7-25-27(30(18-90-59(25)100-63-51(80)47(76)43(72)36(14-68)96-63)57(86)94-34-11-28-31(55(84)88-5)19-92-61(40(28)22(34)3)102-65-53(82)49(78)45(74)38(16-70)98-65)10-9-24(13-67)42-26(8-2)60(101-64-52(81)48(77)44(73)37(15-69)97-64)91-21-33(42)58(87)95-35-12-29-32(56(85)89-6)20-93-62(41(29)23(35)4)103-66-54(83)50(79)46(75)39(17-71)99-66/h7-9,13,18-23,25-29,34-54,59-66,68-83H,1-2,10-12,14-17H2,3-6H3/b24-9-/t22-,23+,25-,26-,27+,28+,29-,34-,35+,36+,37+,38-,39+,40+,41-,42+,43+,44+,45-,46+,47-,48-,49+,50-,51+,52+,53-,54+,59+,60+,61-,62+,63-,64-,65+,66-/m1/s1 |
| InChIKey | JGFCDHIJCNLFPY-CPBUDXFKSA-N |
| Mol Weight | 1475.4 g/mol |
| Molecular Formula | C66H90O37 |
| Exact Mass | 1474.516094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdC0DGUI53Z |
|---|---|
| Name | STRYCHOSIDE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H90O37 |
| InChI | InChI=1S/C66H90O37/c1-7-25-27(30(18-90-59(25)100-63-51(80)47(76)43(72)36(14-68)96-63)57(86)94-34-11-28-31(55(84)88-5)19-92-61(40(28)22(34)3)102-65-53(82)49(78)45(74)38(16-70)98-65)10-9-24(13-67)42-26(8-2)60(101-64-52(81)48(77)44(73)37(15-69)97-64)91-21-33(42)58(87)95-35-12-29-32(56(85)89-6)20-93-62(41(29)23(35)4)103-66-54(83)50(79)46(75)39(17-71)99-66/h7-9,13,18-23,25-29,34-54,59-66,68-83H,1-2,10-12,14-17H2,3-6H3/b24-9-/t22-,23+,25-,26-,27+,28+,29-,34-,35+,36+,37+,38-,39+,40+,41-,42+,43+,44+,45-,46+,47-,48-,49+,50-,51+,52+,53-,54+,59+,60+,61-,62+,63-,64-,65+,66-/m1/s1 |
| InChIKey | JGFCDHIJCNLFPY-CPBUDXFKSA-N |
| Literature Reference Author | A.ITOH,N.OYA,E.KAWAGUCHI,S.NISHIO,Y.TANAKA,E.KAWACHI,T.AKITA ,T.NISHI,T.TANAHASHI |
| Literature Reference Citation | J.NAT.PROD.,68,1434(2005) |
| Literature Reference DOI | 10.1021/np058062w |
| Molecular Weight | 1475.418 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ13176 |