| SpectraBase Spectrum ID |
2ln1Qd9ieJk |
| Name |
2,5-Cyclohexadiene-1,4-dione, 3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-2-hydroxy-5-[(2-phenylethyl)amino]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]- |
| Alternate Name(s) |
Smenospongidine
3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-2-hydroxy-5-[(2-phenylethyl)amino]benzo-1,4-quinone
c-1,2-dimethyl-4-methylene-t-1-(6-(2-phenylethyl)amino-p-benzoquinone-2-)methyl-trans-decalin |
| CAS Registry Number |
121994-51-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H37NO3 |
| InChI |
InChI=1S/C29H37NO3/c1-19-9-8-12-25-28(19,3)15-13-20(2)29(25,4)18-22-26(32)23(17-24(31)27(22)33)30-16-14-21-10-6-5-7-11-21/h5-7,10-11,17,20,25,30,33H,1,8-9,12-16,18H2,2-4H3/t20-,25+,28+,29+/m0/s1 |
| InChIKey |
CVUGQYANPDQHFV-JEDUBMGFSA-N |
| Molecular Weight |
447.619 g/mol |
| SMILES |
N(C=1C(C(=C(C(C1)=O)O)C[C@]1([C@]2([C@](C(=C)CCC2)(C)CC[C@@]1(C)[H])[H])C)=O)CCc1ccccc1 |
| SPLASH |
splash10-0apl-8940000000-e3fcc19ca822361b602f |
| Source of Spectrum |
F-48-6676-10 |
| Wiley ID |
1386993 |
![2,5-Cyclohexadiene-1,4-dione, 3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-2-hydroxy-5-[(2-phenylethyl)amino]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-](/api/spectrum/2ln1Qd9ieJk/structure.png?h=300&w=458 "2,5-Cyclohexadiene-1,4-dione, 3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-2-hydroxy-5-[(2-phenylethyl)amino]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-")
