SpectraBase Compound ID | FXO2k8bU02F |
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InChI | InChI=1S/C33H54O7/c1-18(34)39-26-17-24-29(2,3)25(35)13-15-32(24,7)23-12-14-31(6)20(10-11-22(31)33(23,26)8)19-16-21(40-28(19)38-9)27(36)30(4,5)37/h11,19-21,23-28,35-37H,10,12-17H2,1-9H3/t19-,20-,21+,23+,24-,25+,26+,27-,28+,31-,32+,33-/m0/s1 |
InChIKey | VEGLQFQCUDCVIL-AFEHEUDBSA-N |
Mol Weight | 562.8 g/mol |
Molecular Formula | C33H54O7 |
Exact Mass | 562.386954 g/mol |
SpectraBase Spectrum ID | 9g72sPQiQIP |
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Name | Agladupol C |
Appearance | White amorphous powder |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C33H54O7 |
InChI | InChI=1S/C33H54O7/c1-18(34)39-26-17-24-29(2,3)25(35)13-15-32(24,7)23-12-14-31(6)20(10-11-22(31)33(23,26)8)19-16-21(40-28(19)38-9)27(36)30(4,5)37/h11,19-21,23-28,35-37H,10,12-17H2,1-9H3/t19-,20-,21+,23+,24-,25+,26+,27-,28+,31-,32+,33-/m0/s1 |
InChIKey | VEGLQFQCUDCVIL-AFEHEUDBSA-N |
Instrument Name | Finnigan MAT 95 |
Ionization Type | EI |
Literature Reference DOI | 10.1021/np0702842 |
Molecular Weight | 562.788 g/mol |
Optical Rotation | [a]D20 = -98.7 (c = 4.2150, CHCl3) |
Reported Formula | C33H54O7 |
SMILES | O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@]5([C@@](O[C@@]([C@@](C(C)(C)O)(O)[H])(C5)[H])(OC)[H])[H])(CC=C4[C@@]3([C@@](C[C@]2(C1(C)C)[H])(OC(C)=O)[H])C)[H])C)[H])C)[H] |
SPLASH | splash10-0229-0109000000-9950c5f43d3bae824c2b |
Source of Spectrum | G4-70-1534-3 |
Wiley ID | 1874642 |