![#7;PESCAPREIN_XVI;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[3-(TRANS-CINNAMOYL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]-](/api/spectrum/KJ7HaIRNNSY/structure.png?h=300&w=458 "#7;PESCAPREIN_XVI;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[3-(TRANS-CINNAMOYL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]-")
| SpectraBase Compound ID | 7mAWW8Wqvlf |
|---|---|
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-69-58(82)62(60(45(8)86-69)93-67(83)41(4)12-3)90-51(75)40-39-47-33-28-26-29-34-47)46(9)88-72(66)94-59-44(7)87-71-64(57(59)81)91-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-71)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41?,42-,43-,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1 |
| InChIKey | NTDNYKYJKADPCY-SFHRJVSDSA-N |
| Mol Weight | 1381.7 g/mol |
| Molecular Formula | C72H116O25 |
| Exact Mass | 1380.780569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJ7HaIRNNSY |
|---|---|
| Name | #7;PESCAPREIN_XVI;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[3-(TRANS-CINNAMOYL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H116O25 |
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-69-58(82)62(60(45(8)86-69)93-67(83)41(4)12-3)90-51(75)40-39-47-33-28-26-29-34-47)46(9)88-72(66)94-59-44(7)87-71-64(57(59)81)91-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-71)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41?,42-,43-,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1 |
| InChIKey | NTDNYKYJKADPCY-SFHRJVSDSA-N |
| Literature Reference Author | H.TAO,X.HAO,J.LIU,J.DING,Q.GU,W.ZHU |
| Literature Reference Citation | J.NAT.PROD.,71,1998(2008) |
| Literature Reference DOI | 10.1021/np800386z |
| Molecular Weight | 1381.698 g/mol |
| Sample ID | 29418 |
| Solvent | C5D5N |