| SpectraBase Compound ID | LuYwNMMPMLo |
|---|---|
| InChI | InChI=1S/C67H100O27/c1-30-43(72)47(76)51(80)58(86-30)93-55-49(78)46(75)36(27-69)88-60(55)94-54-48(77)45(74)35(26-68)87-59(54)89-37-29-85-57(52(81)53(37)92-56-50(79)44(73)34(70)28-84-56)91-40-19-20-64(6)38(63(40,4)5)18-21-66(8)39(64)16-15-32-33-24-62(2,3)41(25-67(33,61(82)83)23-22-65(32,66)7)90-42(71)17-14-31-12-10-9-11-13-31/h9-15,17,30,33-41,43-60,68-70,72-81H,16,18-29H2,1-8H3,(H,82,83)/b17-14+/t30-,33?,34+,35+,36+,37+,38?,39?,40-,41-,43-,44+,45+,46+,47+,48-,49-,50?,51+,52+,53-,54+,55+,56+,57-,58-,59-,60-,64-,65+,66+,67+/m0/s1 |
| InChIKey | XSXUAGISADDINK-KNNBFFRWSA-N |
| Mol Weight | 1337.5 g/mol |
| Molecular Formula | C67H100O27 |
| Exact Mass | 1336.645198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ctfPImNQ5O |
|---|---|
| Name | XSXUAGISADDINK-KNNBFFRWSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H100O27 |
| InChI | InChI=1S/C67H100O27/c1-30-43(72)47(76)51(80)58(86-30)93-55-49(78)46(75)36(27-69)88-60(55)94-54-48(77)45(74)35(26-68)87-59(54)89-37-29-85-57(52(81)53(37)92-56-50(79)44(73)34(70)28-84-56)91-40-19-20-64(6)38(63(40,4)5)18-21-66(8)39(64)16-15-32-33-24-62(2,3)41(25-67(33,61(82)83)23-22-65(32,66)7)90-42(71)17-14-31-12-10-9-11-13-31/h9-15,17,30,33-41,43-60,68-70,72-81H,16,18-29H2,1-8H3,(H,82,83)/b17-14+/t30-,33?,34+,35+,36+,37+,38?,39?,40-,41-,43-,44+,45+,46+,47+,48-,49-,50?,51+,52+,53-,54+,55+,56+,57-,58-,59-,60-,64-,65+,66+,67+/m0/s1 |
| InChIKey | XSXUAGISADDINK-KNNBFFRWSA-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 | 1337.515 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPR2034 |