![#4;(11S)-[[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-N-DODECANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-2-O-(2S)-METHYLBUTHANOYL-ALP](/api/spectrum/iD6S58XpvF/structure.png?h=300&w=458 "#4;(11S)-[[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-N-DODECANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-2-O-(2S)-METHYLBUTHANOYL-ALP")
| SpectraBase Compound ID | 4iQeoZ4h4Uo |
|---|---|
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-31-37-49(73)90-59-44(7)86-70(63(57(59)81)92-51(75)40-39-47-33-28-26-29-34-47)95-61-46(9)88-72(66(93-67(83)41(4)12-3)65(61)97-68-56(80)54(78)52(76)42(5)84-68)94-60-45(8)87-71-64(58(60)82)91-50(74)38-32-25-22-19-20-23-30-36-48(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+/m1/s1 |
| InChIKey | BGEGFUOUCVAPTL-GFJKPLRSSA-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 | iD6S58XpvF |
|---|---|
| Name | #4;(11S)-[[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-N-DODECANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-2-O-(2S)-METHYLBUTHANOYL-ALP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H116O25 |
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-31-37-49(73)90-59-44(7)86-70(63(57(59)81)92-51(75)40-39-47-33-28-26-29-34-47)95-61-46(9)88-72(66(93-67(83)41(4)12-3)65(61)97-68-56(80)54(78)52(76)42(5)84-68)94-60-45(8)87-71-64(58(60)82)91-50(74)38-32-25-22-19-20-23-30-36-48(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+/m1/s1 |
| InChIKey | BGEGFUOUCVAPTL-GFJKPLRSSA-N |
| Literature Reference Author | N.NODA,Y.HORIUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1607(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1607 |
| Molecular Weight | 1381.698 g/mol |
| Sample ID | 2446 |
| Solvent | C5D5N |