| SpectraBase Spectrum ID |
FCSsentlm8k |
| Name |
1-Naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene -, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]- |
| Alternate Name(s) |
Isocupressic acid, methyl ester
Methyl (1S,4aR,5S,8aR)-5-[(3E)-5-hydroxy-3-methyl-3-pentenyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate
Methyl isocupressate
Methylester of (E)-15-hydroxylabda-8(17),13-dien-19-oic acid |
| CAS Registry Number |
3954-67-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h11,17-18,22H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20+,21-/m0/s1 |
| InChIKey |
LPLVHEIZIMARCP-LCYMFIOTSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
OC\C=C\(CC[C@@]1([C@@]2([C@]([C@](C(=O)OC)(C)CCC2)(CCC1=C)[H])C)[H])C |
| SPLASH |
splash10-0ac0-0910000000-40e2a891a19292ac975d |
| Source of Spectrum |
B-34-1077-0 |
| Wiley ID |
1331306 |
![1-Naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene -, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-](/api/spectrum/FCSsentlm8k/structure.png?h=300&w=458 "1-Naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene -, methyl ester, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-")
