| SpectraBase Spectrum ID |
3k7j3X7VzML |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2-[[4-(acetyloxy)-3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]phenyl]amino]-6-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-, [1.alpha.(1R*,2S*,4aR*,8aS*),2.beta.,4a.alpha.,8a.alpha.]- |
| CAS Registry Number |
133056-08-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H59NO4 |
| InChI |
InChI=1S/C44H59NO4/c1-27-12-10-14-38-41(27,6)20-18-29(3)43(38,8)25-32-22-34(16-17-37(32)49-31(5)46)45-36-24-35(47)23-33(40(36)48)26-44(9)30(4)19-21-42(7)28(2)13-11-15-39(42)44/h16-17,22-24,29-30,38-39,45H,1-2,10-15,18-21,25-26H2,3-9H3/t29?,30-,38?,39+,41?,42-,43?,44+/m0/s1 |
| InChIKey |
CMRMELPRNRNSKN-UCJZRCLUSA-N |
| Molecular Weight |
665.959 g/mol |
| SMILES |
N(C=1C(C(C[C@]2([C@]3([C@@](C(=C)CCC3)(C)CC[C@@]2(C)[H])[H])C)=CC(C1)=O)=O)c1cc(CC2(C3C(C(=C)CCC3)(C)CCC2C)C)c(cc1)OC(=O)C |
| SPLASH |
splash10-004l-0910100000-fcac638c9549abf5fbc7 |
| Source of Spectrum |
F-46-8030-1 |
| Synonyms |
4-[(5-{[(1R,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-3,6-dioxo-1,4-cyclohexadien-1-yl)amino]-2-[(1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl)methyl]phenyl acetate
O-acetylpopolohuanone A
Popolohuanone A acetate |
| Wiley ID |
1413745 |
![2,5-Cyclohexadiene-1,4-dione, 2-[[4-(acetyloxy)-3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]phenyl]amino]-6-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-, [1.alpha.(1R*,2S*,4aR*,8aS*),2.beta.,4a.alpha.,8a.alpha.]-](/api/spectrum/3k7j3X7VzML/structure.png?h=300&w=458 "2,5-Cyclohexadiene-1,4-dione, 2-[[4-(acetyloxy)-3-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]phenyl]amino]-6-[(decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl]-, [1.alpha.(1R*,2S*,4aR*,8aS*),2.beta.,4a.alpha.,8a.alpha.]-")
