| SpectraBase Compound ID | 23EUfaIFeeT |
|---|---|
| InChI | InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21?,22-,28+,29-/m1/s1 |
| InChIKey | TXEJUZMIQVTZHO-VVZSTLJTSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C29H42O5 |
| Exact Mass | 470.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rkpE2PW3IS |
|---|---|
| Name | ZHANKUIC-ACID-B;3-ALPHA-HYDROXY-4-ALPHA-METHYL-ERGOSTA-8,24(28)-DIEN-7,11-DIONE-26-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O5 |
| InChI | InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21?,22-,28+,29-/m1/s1 |
| InChIKey | TXEJUZMIQVTZHO-VVZSTLJTSA-N |
| Literature Reference Author | C.H.CHEN,S.W.YANG,Y.C.SHEN |
| Literature Reference Citation | J.NAT.PROD.,58,1655(1995) |
| Literature Reference DOI | 10.1021/np50125a002 |
| Molecular Weight | 470.649 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22801 |