SpectraBase Spectrum ID |
JPe11SKZ9PC |
Name |
2-Pentenoic acid, 5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3 -methyl-, methyl ester, [1S-(1.alpha.,4a.beta.,6.alpha.,8a.alpha.)]- |
CAS Registry Number |
63399-41-7 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H34O3 |
InChI |
InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h13,16-18,22H,2,7-12H2,1,3-6H3/b14-13+/t16-,17+,18+,21-/m0/s1 |
InChIKey |
ZPIMNSSFJAWUGM-KTZARMIISA-N |
Molecular Weight |
334.500 g/mol |
SMILES |
O[C@@]1(CC[C@@]2([C@@](C1(C)C)(CCC([C@@]2(CC\C(=C\C(=O)OC)C)[H])=C)[H])C)[H] |
SPLASH |
splash10-000i-0936000000-ed68dba51dfd9adf3901 |
Source of Spectrum |
F-33-149-0 |
Synonyms |
3-Hydroxylabda-8(20),13-dien-15-oic acid methylester
Methyl (2E)-5-[(1S,4aS,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoate |
Wiley ID |
1331299 |