| SpectraBase Spectrum ID |
1wwmbJpojeI |
| Name |
1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[1-methyl-2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-3-cyclohexen-1-yl]-, [1.alpha.(S*),2.beta.]-(.+-.)- |
| Alternate Name(s) |
2-[1-methyl-2-(2-p-tolylsulphonyloxyethyl)cyclohex-3-enyl]-6-methoxy-3,4-dihydronaphthalene-1(2H)-one
2-{(6S)-6-[(2S)-6-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl]-6-methyl-2-cyclohexen-1-yl}ethyl 4-methylbenzenesulfonate |
| CAS Registry Number |
84994-87-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32O5S |
| InChI |
InChI=1S/C27H32O5S/c1-19-7-11-23(12-8-19)33(29,30)32-17-15-21-6-4-5-16-27(21,2)25-14-9-20-18-22(31-3)10-13-24(20)26(25)28/h4,6-8,10-13,18,21,25H,5,9,14-17H2,1-3H3/t21?,25-,27+/m1/s1 |
| InChIKey |
YLLXZCDZHNZZIA-WQWAHSDSSA-N |
| Molecular Weight |
468.608 g/mol |
| SMILES |
c1(S(=O)(=O)OCCC2[C@@]([C@]3(C(c4ccc(cc4CC3)OC)=O)[H])(CCC=C2)C)ccc(cc1)C |
| SPLASH |
splash10-0002-0090000000-d25390c9fe57375eeafe |
| Source of Spectrum |
KC-1982-2637-0 |
| Wiley ID |
1392432 |
![1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[1-methyl-2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-3-cyclohexen-1-yl]-, [1.alpha.(S*),2.beta.]-(.+-.)-](/api/spectrum/1wwmbJpojeI/structure.png?h=300&w=458 "1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[1-methyl-2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-3-cyclohexen-1-yl]-, [1.alpha.(S*),2.beta.]-(.+-.)-")
