(3R,3aR,15S)-3,3a,6,7,8,9,10,11,12,13,14,15-Dodecahydro-3-(4-hydroxyphenyl)-4H-1,16-etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione
CAS Registry Number®
71461-13-7
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CAS Name
(3R,3aR,15S)-3,3a,6,7,8,9,10,11,12,13,14,15-Dodecahydro-3-(4-hydroxyphenyl)-4H-1,16-etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dioneMolecular Formula
C28H36N4O4Molecular Mass
492.61Cite this Page
(3R,3aR,15S)-3,3a,6,7,8,9,10,11,12,13,14,15-Dodecahydro-3-(4-hydroxyphenyl)-4H-1,16-etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=71461-13-7 (retrieved ) (CAS RN: 71461-13-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)/t23?,26-,27+/m1/s1
InChIKey
InChIKey=ASCIWXOCZAWSON-VNCAGCHFSA-N
SMILES
O=C1[C@@]2(C=3C(O[C@H]2C4=CC=C(O)C=C4)=CC=C(C3)C5(CC(=O)NCCC[N@]1CCCCNCCCN5)[H])[H]
Canonical SMILES
O=C1NCCCN2C(=O)C3C4=CC(=CC=C4OC3C5=CC=C(O)C=C5)C(NCCCNCCCC2)C1
Other Names for this Substance
- 4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)-
- 4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, [3R-(3R*,3aR*,15S*)]-
- (3R,3aR,15S)-3,3a,6,7,8,9,10,11,12,13,14,15-Dodecahydro-3-(4-hydroxyphenyl)-4H-1,16-etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione
- Ephedradine A
- Orantine
