| SpectraBase Spectrum ID |
AaP1VJvFoVj |
| Name |
1H-Benz[e]indene-7-acetic acid, 3a,6-diethyl-3-ethynyldodecahydro-3-hydroxy-, methyl ester, [3R-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.a lpha.,9a.alpha.,9b.beta.)]- |
| CAS Registry Number |
100021-07-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-5-16-15(14-20(23)25-4)8-9-18-17(16)10-12-21(6-2)19(18)11-13-22(21,24)7-3/h3,15-19,24H,5-6,8-14H2,1-2,4H3/t15-,16-,17+,18+,19-,21-,22-/m0/s1 |
| InChIKey |
SWHUKQNQGRUXJK-KHOXPFJJSA-N |
| Molecular Weight |
346.511 g/mol |
| SMILES |
O[C@@]1([C@@]2([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CC)[H])(CC(=O)OC)[H])[H])(CC1)[H])CC)C#C |
| SPLASH |
splash10-017i-0219000000-0b542c75025b2fe6d993 |
| Source of Spectrum |
J-51-772-4 |
| Synonyms |
Methyl[(3R,3aS,5aR,6S,7S,9aR,9bS)-3a,6-diethyl-3-ethynyl-3-hydroxydodecahydro-1H-cyclopenta[a]naphthalen-7-yl]acetate |
| Wiley ID |
1339635 |
![1H-Benz[e]indene-7-acetic acid, 3a,6-diethyl-3-ethynyldodecahydro-3-hydroxy-, methyl ester, [3R-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.a lpha.,9a.alpha.,9b.beta.)]-](/api/spectrum/AaP1VJvFoVj/structure.png?h=300&w=458 "1H-Benz[e]indene-7-acetic acid, 3a,6-diethyl-3-ethynyldodecahydro-3-hydroxy-, methyl ester, [3R-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.a lpha.,9a.alpha.,9b.beta.)]-")
