| SpectraBase Spectrum ID |
54fkddw3rK8 |
| Name |
3-Pentene-1,2-diol, 1-[1-(acetyloxy)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene cyclonona[c]pyran-4-yl]-4-methyl-, diacetate, [1R-[1R*,4(1R*,2R*),4aS*,7E,11aR*]]- |
| CAS Registry Number |
82490-36-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H36O7 |
| InChI |
InChI=1S/C26H36O7/c1-15(2)13-23(31-18(5)27)25(32-19(6)28)22-14-30-26(33-20(7)29)24-17(4)10-8-9-16(3)11-12-21(22)24/h9,13-14,21,23-26H,4,8,10-12H2,1-3,5-7H3/b16-9-/t21-,23-,24-,25-,26-/m1/s1 |
| InChIKey |
AKSALEFCWBDVLE-AAJPXHAISA-N |
| Molecular Weight |
460.567 g/mol |
| SMILES |
C=1([C@@]2([C@](C(=C)CC\C=C/(CC2)C)([H])[C@](OC1)(OC(=O)C)[H])[H])[C@]([C@@](C=C(C)C)(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-001u-3095100000-9a21284efcfb0ec153ef |
| Source of Spectrum |
B-35-1001-0 |
| Synonyms |
(1R)-1-[(R)-[(1R,4aS,11aS)-1-(acetyloxy)-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl](acetyloxy)methyl]-3-methyl-2-butenyl acetate
(1R*,4aS*,7E,11aS*,1'R*,2'R*)-1-acetoxy-4-(1',2'-diacetoxy-4'-methylpent-3'-enyl)-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran
9-Deacetoxyxenicin
Cyclonona[c]pyran, 3-pentene-1,2-diol deriv. |
| Wiley ID |
1390514 |
![3-Pentene-1,2-diol, 1-[1-(acetyloxy)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene cyclonona[c]pyran-4-yl]-4-methyl-, diacetate, [1R-[1R*,4(1R*,2R*),4aS*,7E,11aR*]]-](/api/spectrum/54fkddw3rK8/structure.png?h=300&w=458 "3-Pentene-1,2-diol, 1-[1-(acetyloxy)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene cyclonona[c]pyran-4-yl]-4-methyl-, diacetate, [1R-[1R*,4(1R*,2R*),4aS*,7E,11aR*]]-")
