SpectraBase Compound ID | 1kaINaGEnyG |
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InChI | InChI=1S/C32H42O9/c1-8-16(2)28(36)40-26-23-24(35)31(6,19(29(26,3)4)13-21(33)37-7)18-9-11-30(5)20(32(18)27(23)41-32)14-22(34)39-25(30)17-10-12-38-15-17/h10,12,15-16,18-20,23,25-27H,8-9,11,13-14H2,1-7H3/t16-,18?,19-,20?,23-,25-,26+,27+,30+,31+,32?/m0/s1 |
InChIKey | JFCFHKVHDISZHG-SRYLHQEKSA-N |
Mol Weight | 570.7 g/mol |
Molecular Formula | C32H42O9 |
Exact Mass | 570.282883 g/mol |
SpectraBase Spectrum ID | CPolHVaSGxM |
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Name | 2'S-Cipadesin A |
Appearance | White, amorphous solid |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C32H42O9 |
InChI | InChI=1S/C32H42O9/c1-8-16(2)28(36)40-26-23-24(35)31(6,19(29(26,3)4)13-21(33)37-7)18-9-11-30(5)20(32(18)27(23)41-32)14-22(34)39-25(30)17-10-12-38-15-17/h10,12,15-16,18-20,23,25-27H,8-9,11,13-14H2,1-7H3/t16-,18?,19-,20?,23-,25-,26+,27+,30+,31+,32?/m0/s1 |
InChIKey | JFCFHKVHDISZHG-SRYLHQEKSA-N |
Instrument Name | Finnigan MAT 95 |
Ionization Type | EI |
Literature Reference DOI | 10.1021/np070229t |
Molecular Weight | 570.679 g/mol |
Optical Rotation | [a]D20 = -114 (c = 0.07, MeOH) |
SMILES | C1C2[C@@]3([C@@](CC(OC)=O)(C(C)(C)[C@](OC([C@](CC)(C)[H])=O)([C@@]([C@@]4(C2(C2CC(=O)O[C@@](c5cocc5)([C@]2(C)C1)[H])O4)[H])(C3=O)[H])[H])[H])C |
SPLASH | splash10-00di-4093120000-e5f22b505e376d886a1a |
Source of Spectrum | G4-70-1347-5 |
Wiley ID | 1874628 |