| SpectraBase Compound ID | BfC5y8PA9NJ |
|---|---|
| InChI | InChI=1S/C62H96O25/c1-29-50(37(73-8)24-43(77-29)81-36-18-19-58(6)35(23-36)17-20-61(71)41(58)27-42(83-55(69)34-15-13-12-14-16-34)59(7)60(70,33(5)64)21-22-62(59,61)72)84-44-25-38(74-9)51(30(2)78-44)85-45-26-39(75-10)52(31(3)79-45)86-57-49(68)54(76-11)53(32(4)80-57)87-56-48(67)47(66)46(65)40(28-63)82-56/h12-17,29-33,36-54,56-57,63-68,70-72H,18-28H2,1-11H3/t29-,30+,31-,32+,33?,36+,37+,38-,39+,40-,41?,42?,43+,44-,45+,46-,47+,48-,49+,50-,51+,52-,53+,54-,56+,57-,58+,59-,60+,61+,62-/m1/s1 |
| InChIKey | MLLGLSZZSYVHHY-HSSDZOSVSA-N |
| Mol Weight | 1241.4 g/mol |
| Molecular Formula | C62H96O25 |
| Exact Mass | 1240.624069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pD2VGXvUcR |
|---|---|
| Name | #28;3-(BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H96O25 |
| InChI | InChI=1S/C62H96O25/c1-29-50(37(73-8)24-43(77-29)81-36-18-19-58(6)35(23-36)17-20-61(71)41(58)27-42(83-55(69)34-15-13-12-14-16-34)59(7)60(70,33(5)64)21-22-62(59,61)72)84-44-25-38(74-9)51(30(2)78-44)85-45-26-39(75-10)52(31(3)79-45)86-57-49(68)54(76-11)53(32(4)80-57)87-56-48(67)47(66)46(65)40(28-63)82-56/h12-17,29-33,36-54,56-57,63-68,70-72H,18-28H2,1-11H3/t29-,30+,31-,32+,33?,36+,37+,38-,39+,40-,41?,42?,43+,44-,45+,46-,47+,48-,49+,50-,51+,52-,53+,54-,56+,57-,58+,59-,60+,61+,62-/m1/s1 |
| InChIKey | MLLGLSZZSYVHHY-HSSDZOSVSA-N |
| Literature Reference Author | R.AQUINO,G.PELUSO,N.DETOMMASI,F.DESIMONE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,59,555(1996) |
| Literature Reference DOI | 10.1021/np960251e |
| Molecular Weight | 1241.429 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRK850 |