| SpectraBase Spectrum ID |
H9QphE3T3ia |
| Name |
Methyl [1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,9.alpha.,10.alpha.)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-hydroperoxy-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylate |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O5 |
| InChI |
InChI=1S/C21H34O5/c1-13(2)21(23)10-7-15-14(12-21)16(26-24)11-17-19(15,3)8-6-9-20(17,4)18(22)25-5/h12-13,15-17,23-24H,6-11H2,1-5H3/t15-,16+,17+,19+,20+,21-/m0/s1 |
| InChIKey |
SIIFCQTVDHDXCW-BZFRNLKRSA-N |
| Instrument Name |
Varian MAT 711 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010656l |
| Molecular Weight |
366.498 g/mol |
| Optical Rotation |
[a]D24 = -54.5 (c = 0.23, CH2Cl2) |
| SMILES |
O[C@@]1(C=C2[C@@]([C@@]3([C@@](C[C@]2(OO)[H])([C@](CCC3)(C)C(OC)=O)[H])C)(CC1)[H])C(C)C |
| SPLASH |
splash10-0592-5983000000-0804ca4c4eda0560437c |
| Source of Spectrum |
G4-65-1533-5 |
| Synonyms |
Methyl 7.alpha.-hydroperoxy-13-hydroxyabiet-8(14)-enoate |
| Wiley ID |
1881001 |
![Methyl [1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,9.alpha.,10.alpha.)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-hydroperoxy-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylate](/api/spectrum/H9QphE3T3ia/structure.png?h=300&w=458 "Methyl [1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,9.alpha.,10.alpha.)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-hydroperoxy-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylate")
