| SpectraBase Spectrum ID |
5wiI9gJoyuv |
| Name |
2-Butenoic acid, 2-methyl-, 5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-2-naphthalenyl ester, [1S-[1.alpha.,2.beta.(Z),4a.beta.,5.beta.,8a.a lpha.]]- |
| Alternate Name(s) |
(1S,2R,4aR,5S,8aR)-1-(hydroxymethyl)-1,2,4a-trimethyl-6-methylene-5-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-2-naphthalenyl (2Z)-2-butenoate
3.alpha.-angeloyloxy-18-hydroxy-ent-labd-8(17),13-dien-15,16-olide |
| CAS Registry Number |
99624-43-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-6-7-21(27)30-25(5)13-12-23(3)19(10-9-18-14-22(28)29-15-18)17(2)8-11-20(23)24(25,4)16-26/h6-7,14,19-20,26H,2,8-13,15-16H2,1,3-5H3/b7-6-/t19-,20+,23+,24+,25+/m0/s1 |
| InChIKey |
KHWQQTZZVUKPPT-NFRKSJQGSA-N |
| Molecular Weight |
416.558 g/mol |
| SMILES |
OC[C@@]1([C@]2([C@@]([C@](C(CC2)=C)(CCC2=CC(=O)OC2)[H])(CC[C@]1(OC(\C=C/C)=O)C)C)[H])C |
| SPLASH |
splash10-0a5i-6090000000-791d10228f619905f967 |
| Source of Spectrum |
F-41-4541-5 |
| Wiley ID |
1376500 |
![2-Butenoic acid, 2-methyl-, 5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-2-naphthalenyl ester, [1S-[1.alpha.,2.beta.(Z),4a.beta.,5.beta.,8a.a lpha.]]-](/api/spectrum/5wiI9gJoyuv/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-, 5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-2-naphthalenyl ester, [1S-[1.alpha.,2.beta.(Z),4a.beta.,5.beta.,8a.a lpha.]]-")
