| SpectraBase Compound ID | BWmW0TAl1Ri |
|---|---|
| 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/h10,13,16,18-19,21,24,32H,8-9,11-12,14H2,1-7H3,(H,35,36)/b15-10+/t16?,18-,19+,21+,24-,27+,28+,29-,30+/m1/s1 |
| InChIKey | FQEMSQQCAVCVGA-VLEUVSMVSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C30H40O7 |
| Exact Mass | 512.277404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gs7c5T0w6QP |
|---|---|
| Name | APPLANOXIDIC-ACID-B;3-BETA-HYDROXY-7-ALPHA,8-ALPHA-EPOXY-12,15,23-TRIOXO-5-ALPHA-LANOSTA-9(11),20E-DIEN-26-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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/h10,13,16,18-19,21,24,32H,8-9,11-12,14H2,1-7H3,(H,35,36)/b15-10+/t16?,18-,19+,21+,24-,27+,28+,29-,30+/m1/s1 |
| InChIKey | FQEMSQQCAVCVGA-VLEUVSMVSA-N |
| Literature Reference Author | C.T.TOKUYAMA,Y.HAYASHI,M.NISHIZAWA,H.TOKUDA,S.M.CHAIRUL,Y.HA YASHI |
| Literature Reference Citation | PHYTOCHEM.,30,4105(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83476-2 |
| Molecular Weight | 512.643 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU28257 |