SpectraBase Compound ID | 85SbKo2fa5B |
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InChI | InChI=1S/C29H40O5/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/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,28+,29-/m1/s1 |
InChIKey | DVORYMAGXQGBQK-QCMFUGJUSA-N |
Mol Weight | 468.6 g/mol |
Molecular Formula | C29H40O5 |
Exact Mass | 468.287574 g/mol |
SpectraBase Spectrum ID | JNgl46Nzflp |
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Name | 4-ALPHA-METHYLERGOSTA-8,24,(28)-DIEN-3,7,11-TRION-26-OIC-ACID |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C29H40O5 |
InChI | InChI=1S/C29H40O5/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/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,28+,29-/m1/s1 |
InChIKey | DVORYMAGXQGBQK-QCMFUGJUSA-N |
Literature Reference Author | I.H.CHERNG,H.C.CHIANG,M.C.CHENG,Y.WANG |
Literature Reference Citation | J.NAT.PROD.,58,365(1995) |
Literature Reference DOI | 10.1021/np50117a004 |
Molecular Weight | 468.634 g/mol |
Solvent | CDCl3 |
Source File Reference | UWMR11 |