| SpectraBase Compound ID | FGF3qWh2o9R |
|---|---|
| InChI | InChI=1S/C33H45N5O7/c1-20(2)26-32(43)37-19-11-16-24(37)30(41)36-17-9-7-14-23(36)31(42)38-18-10-8-15-25(38)33(44)45-21(3)27(29(40)34-26)35-28(39)22-12-5-4-6-13-22/h4-6,12-13,20-21,23-27H,7-11,14-19H2,1-3H3,(H,34,40)(H,35,39)/t21-,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | DZRYOWIZOWQPCR-JIGKBLADSA-N |
| Mol Weight | 623.8 g/mol |
| Molecular Formula | C33H45N5O7 |
| Exact Mass | 623.331899 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0106J6nOuO |
|---|---|
| Name | Petrosifungin A |
| Appearance | White amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H45N5O7 |
| InChI | InChI=1S/C33H45N5O7/c1-20(2)26-32(43)37-19-11-16-24(37)30(41)36-17-9-7-14-23(36)31(42)38-18-10-8-15-25(38)33(44)45-21(3)27(29(40)34-26)35-28(39)22-12-5-4-6-13-22/h4-6,12-13,20-21,23-27H,7-11,14-19H2,1-3H3,(H,34,40)(H,35,39)/t21-,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | DZRYOWIZOWQPCR-JIGKBLADSA-N |
| Instrument Name | Finnigan MAT 8200 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np034015x |
| Molecular Weight | 623.751 g/mol |
| Optical Rotation | [a]D25 = -56.2 (c = 0.5, MeOH) |
| Reported Formula | C33H45N5O7 |
| SMILES | N1[C@](C(N2CCC[C@]2(C(N2[C@](C(N3[C@](C(O[C@@]([C@@](C1=O)(NC(c1ccccc1)=O)[H])(C)[H])=O)(CCCC3)[H])=O)(CCCC2)[H])=O)[H])=O)(C(C)C)[H] |
| SPLASH | splash10-001r-9043003000-6374e4325c6523678101 |
| Source of Spectrum | G4-67-314-1 |
| Wiley ID | 1881699 |