![#8;PHYSENOSIDE-S8;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-4-O-(9-OXO-16-BETA-[(D-XYLOPYRANOSYL)-OXY]](/api/spectrum/EwSCOIEVpAu/structure.png?h=300&w=458 "#8;PHYSENOSIDE-S8;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-4-O-(9-OXO-16-BETA-[(D-XYLOPYRANOSYL)-OXY]")
| SpectraBase Compound ID | J01vjt1tEao |
|---|---|
| InChI | InChI=1S/C78H126O35/c1-36-61(109-66-57(94)51(88)42(83)33-103-66)55(92)60(97)68(106-36)111-63-62(110-67-58(95)52(89)43(84)34-104-67)45(107-49(86)20-16-12-8-10-14-18-37(80)19-15-11-9-13-17-27-101-65-56(93)50(87)41(82)32-102-65)35-105-70(63)113-72(100)78-26-25-73(2,3)28-39(78)38-21-22-46-74(4)29-40(81)64(112-69-59(96)54(91)53(90)44(31-79)108-69)77(7,71(98)99)47(74)23-24-75(46,5)76(38,6)30-48(78)85/h21,36,39-48,50-70,79,81-85,87-97H,8-20,22-35H2,1-7H3,(H,98,99)/t36-,39-,40-,41-,42-,43-,44+,45-,46+,47+,48+,50+,51+,52-,53+,54-,55-,56-,57-,58+,59+,60+,61-,62-,63+,64-,65-,66+,67-,68-,69-,70-,74+,75+,76+,77-,78+/m0/s1 |
| InChIKey | UYHMKBYEDKLFGF-GQKDOOGXSA-N |
| Mol Weight | 1623.8 g/mol |
| Molecular Formula | C78H126O35 |
| Exact Mass | 1622.807966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwSCOIEVpAu |
|---|---|
| Name | #8;PHYSENOSIDE-S8;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-4-O-(9-OXO-16-BETA-[(D-XYLOPYRANOSYL)-OXY] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H126O35 |
| InChI | InChI=1S/C78H126O35/c1-36-61(109-66-57(94)51(88)42(83)33-103-66)55(92)60(97)68(106-36)111-63-62(110-67-58(95)52(89)43(84)34-104-67)45(107-49(86)20-16-12-8-10-14-18-37(80)19-15-11-9-13-17-27-101-65-56(93)50(87)41(82)32-102-65)35-105-70(63)113-72(100)78-26-25-73(2,3)28-39(78)38-21-22-46-74(4)29-40(81)64(112-69-59(96)54(91)53(90)44(31-79)108-69)77(7,71(98)99)47(74)23-24-75(46,5)76(38,6)30-48(78)85/h21,36,39-48,50-70,79,81-85,87-97H,8-20,22-35H2,1-7H3,(H,98,99)/t36-,39-,40-,41-,42-,43-,44+,45-,46+,47+,48+,50+,51+,52-,53+,54-,55-,56-,57-,58+,59+,60+,61-,62-,63+,64-,65-,66+,67-,68-,69-,70-,74+,75+,76+,77-,78+/m0/s1 |
| InChIKey | UYHMKBYEDKLFGF-GQKDOOGXSA-N |
| Literature Reference Author | M.INOUE,K.OHTANI,R.KASAI,M.OKUKUBO,M.ANDRIANTSIFERANA,K.YAMA SAKI,T.KOIKE |
| Literature Reference Citation | PHYTOCHEM.,70,1195(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.06.002 |
| Molecular Weight | 1623.837 g/mol |
| Sample ID | 45550 |
| Solvent | C5D5N |