| SpectraBase Spectrum ID |
KfZ0EhcpE2R |
| Name |
24,25-Didehydro-25-deoxy-sorangicin - allyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H68O10 |
| InChI |
InChI=1S/C50H68O10/c1-6-31-55-47(52)25-17-16-19-34(2)32-36(4)50-44-30-28-38(56-50)20-12-8-7-9-13-21-39(51)49(54)43-29-27-35(3)40(57-43)23-18-24-41-37(5)45-33-46(58-41)42(59-45)22-14-10-11-15-26-48(53)60-44/h6,8,10-15,18,21-22,24,26,32,34-35,37-46,49-51,54H,1,7,9,16-17,19-20,23,25,28,30-31,33H2,2-5H3/b11-10-,12-8+,21-13+,22-14+,24-18+,26-15-,36-32+/t34-,35-,37+,38+,39+,40-,41+,42-,43-,44?,45-,46-,49+,50+/m1/s1 |
| InChIKey |
XTERTTHRASZXHV-SWJQETPESA-N |
| Molecular Weight |
829.084 g/mol |
| SMILES |
O[C@]1([C@](\C=C\CC\C=C\C[C@@]2(O[C@](C(OC(\C=C/C=C\C=C\[C@]3(O[C@@]4(C[C@]3(O[C@@](\C=C\C[C@]3(O[C@@]1(C#C[C@]3(C)[H])[H])[H])([C@@]4(C)[H])[H])[H])[H])[H])=O)CC2)(\C(=C\[C@@](CCCCC(=O)OCC=C)(C)[H])C)[H])[H])(O)[H])[H] |
| SPLASH |
splash10-000b-9070100000-7237d15432e98a694c9d |
| Source of Spectrum |
U-1993-301-17 |
| Synonyms |
Prop-2-en-1-yl (6R,7E)-8-[(4Z,6Z,8E,17E,20R,21R,24R,25S,26S,27E,31E,34R,36S)-25,26-dihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1(12,16).1(20,24).0(10,14)]tetraconta-4,6,8,17,27,31-hexaen-22-yn-36-yl]-6-methylnon-7-enoate |
| Wiley ID |
764909 |
