| SpectraBase Spectrum ID |
17GUmOcO4uW |
| 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.]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
665.444409380 u |
| 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 |
C=1(C(C(C[C@]2([C@]3([C@@](C(=C)CCC3)(C)CC[C@@]2(C)[H])[H])C)=CC(C1)=O)=O)NC=1C=C(CC2(C3C(C(=C)CCC3)(C)CCC2C)C)C(=CC1)OC(=O)C |
![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/17GUmOcO4uW/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.]-")
