SpectraBase Compound ID | G9ZhDw8KXt3 |
---|---|
InChI | InChI=1S/C33H46O6/c1-18(2)15-25(37)29(39-22(6)35)20(4)28-26(38-21(5)34)16-31(8)27-10-9-23-19(3)24(36)11-12-32(23)17-33(27,32)14-13-30(28,31)7/h11-12,15,19-20,23,26-29H,9-10,13-14,16-17H2,1-8H3/t19-,20-,23-,26-,27-,28-,29+,30+,31-,32+,33-/m0/s1 |
InChIKey | GJYVHBNHRSKXSV-TTXOOTMKSA-N |
Mol Weight | 538.7 g/mol |
Molecular Formula | C33H46O6 |
Exact Mass | 538.329439 g/mol |
SpectraBase Spectrum ID | JsmOkQwU1Cy |
---|---|
Name | 24A-NOR-24,25-DIDEHYDRO-26-DEOXYNEOBOUTOMELLERONE |
Compound Number | 21 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C33H46O6 |
InChI | InChI=1S/C33H46O6/c1-18(2)15-25(37)29(39-22(6)35)20(4)28-26(38-21(5)34)16-31(8)27-10-9-23-19(3)24(36)11-12-32(23)17-33(27,32)14-13-30(28,31)7/h11-12,15,19-20,23,26-29H,9-10,13-14,16-17H2,1-8H3/t19-,20-,23-,26-,27-,28-,29+,30+,31-,32+,33-/m0/s1 |
InChIKey | GJYVHBNHRSKXSV-TTXOOTMKSA-N |
Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
Literature Reference DOI | 10.1021/np200441h |
Molecular Weight | 538.725 g/mol |
Sample ID | 39732 |
Solvent | CD3CN |