| SpectraBase Spectrum ID |
LI6S3LqgJNR |
| Name |
2-Pentenoic acid, 5-(2,3,4,5,6,7-hexahydro-1,5,5-trimethyl-3a,6-ethano-3aH-inden-4-yl)-4-hydroxy-2-methyl-, methyl ester, [3aS-[3a.alpha.,4.alpha.(2E,4S*),6.alpha.]]- |
| CAS Registry Number |
99524-07-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-13-6-8-21-9-7-15(11-17(13)21)20(3,4)18(21)12-16(22)10-14(2)19(23)24-5/h10,15-16,18,22H,6-9,11-12H2,1-5H3/b14-10+/t15-,16+,18?,21+/m1/s1 |
| InChIKey |
DVRGVPLVVMXSQH-NNYMFGONSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
O[C@@](\C=C\(C(=O)OC)C)(CC1[C@@]23C(C[C@](CC3)([H])C1(C)C)=C(C)CC2)[H] |
| SPLASH |
splash10-001i-0900000000-059158e52b3036810eba |
| Source of Spectrum |
B-38-1357-6 |
| Synonyms |
3a,6-Ethano-3aH-indene, 2-pentenoic acid deriv.
4,8,8-Trimethyl-9-(2-hydroxy-4-methoxycarbonyl-4-pentenyl)-tricyclo[5.2.2.0(1,5)]undecan-5-ene
Methyl (2E,4R)-4-hydroxy-2-methyl-5-[(1S,7R)-4,8,8-trimethyltricyclo[5.2.2.0(1,5)]undec-4-en-9-yl]-2-pentenoate |
| Wiley ID |
1329785 |
![2-Pentenoic acid, 5-(2,3,4,5,6,7-hexahydro-1,5,5-trimethyl-3a,6-ethano-3aH-inden-4-yl)-4-hydroxy-2-methyl-, methyl ester, [3aS-[3a.alpha.,4.alpha.(2E,4S*),6.alpha.]]-](/api/spectrum/LI6S3LqgJNR/structure.png?h=300&w=458 "2-Pentenoic acid, 5-(2,3,4,5,6,7-hexahydro-1,5,5-trimethyl-3a,6-ethano-3aH-inden-4-yl)-4-hydroxy-2-methyl-, methyl ester, [3aS-[3a.alpha.,4.alpha.(2E,4S*),6.alpha.]]-")
