| SpectraBase Compound ID | 532nWR6cN0s |
|---|---|
| InChI | InChI=1S/C60H52O30/c61-23-13-33(71)41-35(15-23)85-53(21-3-7-27(65)31(69)11-21)55(47(41)75)89-59-51(79)49(77)45(73)37(87-59)17-83-57(81)43-39(19-1-5-25(63)29(67)9-19)40(20-2-6-26(64)30(68)10-20)44(43)58(82)84-18-38-46(74)50(78)52(80)60(88-38)90-56-48(76)42-34(72)14-24(62)16-36(42)86-54(56)22-4-8-28(66)32(70)12-22/h1-16,37-40,43-46,49-52,59-74,77-80H,17-18H2/t37-,38+,39-,40-,43-,44-,45+,46-,49+,50-,51-,52+,59+,60-/m0/s1 |
| InChIKey | HMCNEGJHHUODFW-RFLBVQHJSA-N |
| Mol Weight | 1253.0 g/mol |
| Molecular Formula | C60H52O30 |
| Exact Mass | 1252.25434 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYKgXlE0vYl |
|---|---|
| Name | MONOCHAETIN |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H52O30 |
| InChI | InChI=1S/C60H52O30/c61-23-13-33(71)41-35(15-23)85-53(21-3-7-27(65)31(69)11-21)55(47(41)75)89-59-51(79)49(77)45(73)37(87-59)17-83-57(81)43-39(19-1-5-25(63)29(67)9-19)40(20-2-6-26(64)30(68)10-20)44(43)58(82)84-18-38-46(74)50(78)52(80)60(88-38)90-56-48(76)42-34(72)14-24(62)16-36(42)86-54(56)22-4-8-28(66)32(70)12-22/h1-16,37-40,43-46,49-52,59-74,77-80H,17-18H2/t37-,38+,39-,40-,43-,44-,45+,46-,49+,50-,51-,52+,59+,60-/m0/s1 |
| InChIKey | HMCNEGJHHUODFW-RFLBVQHJSA-N |
| Literature Reference Author | J.H.ISAZA,H.ITO,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,58,321(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00247-3 |
| Molecular Weight | 1253.055 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU2802 |