| SpectraBase Compound ID | 1qusOxm6E3V |
|---|---|
| InChI | InChI=1S/C68H102O28/c1-30-44(73)48(77)52(81)59(88-30)95-56-50(79)47(76)37(27-70)90-61(56)96-55-49(78)46(75)36(26-69)89-60(55)91-38-29-87-58(53(82)54(38)94-57-51(80)45(74)35(71)28-86-57)93-41-19-20-65(6)39(64(41,4)5)18-21-67(8)40(65)16-15-33-34-24-63(2,3)42(25-68(34,62(83)84)23-22-66(33,67)7)92-43(72)17-12-31-10-13-32(85-9)14-11-31/h10-15,17,30,34-42,44-61,69-71,73-82H,16,18-29H2,1-9H3,(H,83,84)/b17-12-/t30-,34?,35+,36+,37+,38+,39?,40?,41-,42-,44-,45+,46+,47+,48+,49-,50-,51-,52+,53+,54-,55+,56+,57+,58-,59-,60-,61-,65-,66+,67+,68+/m0/s1 |
| InChIKey | GSOCEAPICDXCLB-MLSLMMQOSA-N |
| Mol Weight | 1367.5 g/mol |
| Molecular Formula | C68H102O28 |
| Exact Mass | 1366.655763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HgA68mCEVRe |
|---|---|
| Name | Z-ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H102O28 |
| InChI | InChI=1S/C68H102O28/c1-30-44(73)48(77)52(81)59(88-30)95-56-50(79)47(76)37(27-70)90-61(56)96-55-49(78)46(75)36(26-69)89-60(55)91-38-29-87-58(53(82)54(38)94-57-51(80)45(74)35(71)28-86-57)93-41-19-20-65(6)39(64(41,4)5)18-21-67(8)40(65)16-15-33-34-24-63(2,3)42(25-68(34,62(83)84)23-22-66(33,67)7)92-43(72)17-12-31-10-13-32(85-9)14-11-31/h10-15,17,30,34-42,44-61,69-71,73-82H,16,18-29H2,1-9H3,(H,83,84)/b17-12-/t30-,34?,35+,36+,37+,38+,39?,40?,41-,42-,44-,45+,46+,47+,48+,49-,50-,51-,52+,53+,54-,55+,56+,57+,58-,59-,60-,61-,65-,66+,67+,68+/m0/s1 |
| InChIKey | GSOCEAPICDXCLB-MLSLMMQOSA-N |
| Literature Reference Author | J.ENGLERT,B.WENIGER,A.LOBSTEIN,R.ANTON,E.KREMPP,D.GUILLAUME, Y.LEROY |
| Literature Reference Citation | J.NAT.PROD.,58,1265(1995) |
| Literature Reference DOI | 10.1021/np50122a019 |
| Molecular Weight | 1367.541 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPR2033 |