![#8;PESCAPREIN_XVII;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-O-(TRANS-CINNAMYOL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]](/api/spectrum/3q1IDvZ6CtG/structure.png?h=300&w=458 "#8;PESCAPREIN_XVII;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-O-(TRANS-CINNAMYOL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]")
| SpectraBase Compound ID | LGUo5Aw82bK |
|---|---|
| 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(95-70-63(91-51(75)40-39-47-33-28-26-29-34-47)57(81)59(44(7)86-70)93-67(83)41(4)12-3)46(9)88-72(66)94-60-45(8)87-71-64(58(60)82)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-69-62(96-71)55(79)53(77)43(6)85-69/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 | LDNBQGTVYRNEGJ-MEZUCECISA-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 | 3q1IDvZ6CtG |
|---|---|
| Name | #8;PESCAPREIN_XVII;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-O-(TRANS-CINNAMYOL)-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(95-70-63(91-51(75)40-39-47-33-28-26-29-34-47)57(81)59(44(7)86-70)93-67(83)41(4)12-3)46(9)88-72(66)94-60-45(8)87-71-64(58(60)82)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-69-62(96-71)55(79)53(77)43(6)85-69/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 | LDNBQGTVYRNEGJ-MEZUCECISA-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 | 29422 |
| Solvent | C5D5N |