| SpectraBase Compound ID | 4LT7S6wSaYM |
|---|---|
| InChI | InChI=1S/C60H98O27/c1-23-33(65)37(69)41(73)50(78-23)85-46-39(71)34(66)24(2)79-52(46)86-47-40(72)36(68)28(21-62)81-53(47)83-44-43(75)45(49(76)77)84-54(48(44)87-51-42(74)38(70)35(67)27(20-61)80-51)82-32-13-14-57(7)29(56(32,5)6)12-15-58(8)30(57)11-10-25-26-18-55(3,4)16-17-60(26,22-63)31(64)19-59(25,58)9/h10,23-24,26-48,50-54,61-75H,11-22H2,1-9H3,(H,76,77)/t23-,24+,26?,27+,28-,29?,30?,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48-,50-,51-,52+,53+,54-,57-,58+,59+,60+/m0/s1 |
| InChIKey | OWBRTTQWXPUUOW-ICODSLMJSA-N |
| Mol Weight | 1251.4 g/mol |
| Molecular Formula | C60H98O27 |
| Exact Mass | 1250.629548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5zORfxRNZp |
|---|---|
| Name | PS-5 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H98O27 |
| InChI | InChI=1S/C60H98O27/c1-23-33(65)37(69)41(73)50(78-23)85-46-39(71)34(66)24(2)79-52(46)86-47-40(72)36(68)28(21-62)81-53(47)83-44-43(75)45(49(76)77)84-54(48(44)87-51-42(74)38(70)35(67)27(20-61)80-51)82-32-13-14-57(7)29(56(32,5)6)12-15-58(8)30(57)11-10-25-26-18-55(3,4)16-17-60(26,22-63)31(64)19-59(25,58)9/h10,23-24,26-48,50-54,61-75H,11-22H2,1-9H3,(H,76,77)/t23-,24+,26?,27+,28-,29?,30?,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48-,50-,51-,52+,53+,54-,57-,58+,59+,60+/m0/s1 |
| InChIKey | OWBRTTQWXPUUOW-ICODSLMJSA-N |
| Literature Reference Author | K.OHTANI,S.MAVI,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,33,83(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85400-L |
| Molecular Weight | 1251.422 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6204 |