| SpectraBase Compound ID | B2JDnwbfijS |
|---|---|
| InChI | InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h10,13,16,18-19,23-24,34H,8-9,11-12,14H2,1-7H3,(H,35,36)/b15-10+/t16?,18-,19+,23+,24-,27+,28+,29-,30+/m1/s1 |
| InChIKey | FGUBEKCWBCCEIB-NDKBUZNXSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C30H40O7 |
| Exact Mass | 512.277404 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GPpgck1tUOI |
|---|---|
| Name | Applanoxidic acid A |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40O7 |
| InChI | InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h10,13,16,18-19,23-24,34H,8-9,11-12,14H2,1-7H3,(H,35,36)/b15-10+/t16?,18-,19+,23+,24-,27+,28+,29-,30+/m1/s1 |
| InChIKey | FGUBEKCWBCCEIB-NDKBUZNXSA-N |
| Instrument Name | Agilent 6890N-5973 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0501886 |
| Molecular Weight | 512.643 g/mol |
| Reported Formula | C30H41O7 |
| SMILES | OC(C(CC(\C=C\([C@@]1([C@@]2([C@@]([C@](C1)(O)[H])([C@]13[C@@](C[C@]4(C(C(CC[C@@]4(C3=CC2=O)C)=O)(C)C)[H])(O1)[H])C)C)[H])C)=O)C)=O |
| SPLASH | splash10-00kf-9743100000-03ba30a17f806a229810 |
| Source of Spectrum | G4-68-SM72-Applanoxidic acid A |
| Thin-Layer Chromatography | Rf = 0.10 |
| Wiley ID | 1884080 |