| SpectraBase Spectrum ID |
BDxXGFeDfuL |
| Name |
(20S)-3beta-(Benzoylamino)-20-(dimethylamino)-9,10-secobuxa-1(2),9(11),10(19)-triene |
| Alternate Name(s) |
Hyrcatrienine
N-((3S,3aR,9S,10aR,12aR,12bS)-3-((S)-1-(dimethylamino)ethyl)-3a,10,10,12b-tetramethyl-1,2,3,3a,4,9,10,10a,11,12,12a,12b-dodecahydrobenzo[4,5]cyclohepta[1,2-e]inden-9-yl)benzamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H46N2O |
| InChI |
InChI=1S/C33H46N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-13,16-17,21-22,26-29H,14-15,18-20H2,1-7H3,(H,34,36)/t22-,26+,27+,28+,29-,32+,33-/m0/s1 |
| InChIKey |
ACYRLFNCLPYZIA-DVSQZFJSSA-N |
| Molecular Weight |
486.744 g/mol |
| SMILES |
N([C@]1(C=CC=2[C@@](C1(C)C)([H])CC[C@@]1(C(=CC[C@@]3([C@]([C@@](N(C)C)(C)[H])([H])CC[C@@]13C)C)C2)[H])[H])C(c1ccccc1)=O |
| SPLASH |
splash10-00di-9100000000-b7d73cb6f8215c389717 |
| Source of Spectrum |
CBD-3-1050-3 |
| Wiley ID |
1790333 |
