| SpectraBase Compound ID | PkD7Ox26Z0 |
|---|---|
| InChI | InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21,32H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,28+,29-,30+/m1/s1 |
| InChIKey | YBFMHFRKIFVPJA-LRGPFVJBSA-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 | 3R9y8Oc6CvV |
|---|---|
| Name | 7-BETA-HYDROXY-3,11,15-23-TETRAOXO-27-XI-LANOSTA-8,16-DIEN-26-OIC_ACID |
| Compound Number | 4 |
| 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)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21,32H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,28+,29-,30+/m1/s1 |
| InChIKey | YBFMHFRKIFVPJA-LRGPFVJBSA-N |
| Literature Reference Author | C.C.LIAW,Y.C.CHEN,G.J.HUANG,Y.C.TSAI,S.C.CHIEN,J.H.WU,S.Y.WA NG,L.K.CHAO,P.J.SUNG |
| Literature Reference Citation | J.NAT.PROD.,76,489(2013) |
| Literature Reference DOI | 10.1021/np300443p |
| Molecular Weight | 512.643 g/mol |
| Sample ID | 42314 |
| Solvent | CDCl3 |