![IPOMOTAOSIDE_B;(S)-JALAPINOLIC_ACID-11-O-(2-O-TRANS-CINNAMOYL)-[(4-O-N-DODECANOYL)]-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-(2-O-DODECANOYL)-](/api/spectrum/5x68sx4hxWW/structure.png?h=300&w=458 "IPOMOTAOSIDE_B;(S)-JALAPINOLIC_ACID-11-O-(2-O-TRANS-CINNAMOYL)-[(4-O-N-DODECANOYL)]-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-(2-O-DODECANOYL)-")
| SpectraBase Compound ID | 4PRtgyx5Tum |
|---|---|
| InChI | InChI=1S/C73H120O21/c1-8-11-14-16-18-20-24-28-36-43-54(74)88-63-49(5)84-71(67(60(63)80)91-57(77)47-46-52-39-33-31-34-40-52)92-64-50(6)85-72(68(61(64)81)89-55(75)44-37-29-25-21-19-17-15-12-9-2)93-65-51(7)86-73-69(62(65)82)90-56(76)45-38-30-26-22-23-27-35-42-53(41-32-13-10-3)87-70-66(94-73)59(79)58(78)48(4)83-70/h31,33-34,39-40,46-51,53,58-73,78-82H,8-30,32,35-38,41-45H2,1-7H3/b47-46+/t48-,49-,50+,51+,53+,58+,59+,60+,61-,62-,63-,64+,65+,66-,67+,68-,69-,70+,71-,72+,73+/m1/s1 |
| InChIKey | FSDJTONUQZBFFY-FDOVLVBZSA-N |
| Mol Weight | 1333.7 g/mol |
| Molecular Formula | C73H120O21 |
| Exact Mass | 1332.832211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5x68sx4hxWW |
|---|---|
| Name | IPOMOTAOSIDE_B;(S)-JALAPINOLIC_ACID-11-O-(2-O-TRANS-CINNAMOYL)-[(4-O-N-DODECANOYL)]-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-(2-O-DODECANOYL)- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H120O21 |
| InChI | InChI=1S/C73H120O21/c1-8-11-14-16-18-20-24-28-36-43-54(74)88-63-49(5)84-71(67(60(63)80)91-57(77)47-46-52-39-33-31-34-40-52)92-64-50(6)85-72(68(61(64)81)89-55(75)44-37-29-25-21-19-17-15-12-9-2)93-65-51(7)86-73-69(62(65)82)90-56(76)45-38-30-26-22-23-27-35-42-53(41-32-13-10-3)87-70-66(94-73)59(79)58(78)48(4)83-70/h31,33-34,39-40,46-51,53,58-73,78-82H,8-30,32,35-38,41-45H2,1-7H3/b47-46+/t48-,49-,50+,51+,53+,58+,59+,60+,61-,62-,63-,64+,65+,66-,67+,68-,69-,70+,71-,72+,73+/m1/s1 |
| InChIKey | FSDJTONUQZBFFY-FDOVLVBZSA-N |
| Literature Reference Author | K.YOSHIKAWA,C.YAGI,H.HAMA,M.TANAKA,S.ARIHARA,T.HASHIMOTO |
| Literature Reference Citation | J.NAT.PROD.,73,1763(2010) |
| Literature Reference DOI | 10.1021/np100283t |
| Molecular Weight | 1333.743 g/mol |
| Sample ID | 36110 |
| Solvent | C5D5N |