Cas no 2115-98-2 ((5S,11bR)-10-hydroxy-2,9,11-trimethoxy-14-methyl-6,7-dihydro-5,11b-(epiminoethano)dibenzo[a,c][7]annulen-3(5H)-one)
![(5S,11bR)-10-hydroxy-2,9,11-trimethoxy-14-methyl-6,7-dihydro-5,11b-(epiminoethano)dibenzo[a,c][7]annulen-3(5H)-one structure](https://ossimg.kuujia.com/scimg/2500/2115-98-2x500.png)
2115-98-2 structure
Product Name:(5S,11bR)-10-hydroxy-2,9,11-trimethoxy-14-methyl-6,7-dihydro-5,11b-(epiminoethano)dibenzo[a,c][7]annulen-3(5H)-one
CAS No:2115-98-2
MF:C21H25NO5
MW:371.426906347275
CID:1403263
PubChem ID:183438
Update Time:2025-04-20
(5S,11bR)-10-hydroxy-2,9,11-trimethoxy-14-methyl-6,7-dihydro-5,11b-(epiminoethano)dibenzo[a,c][7]annulen-3(5H)-one Chemical and Physical Properties
Names and Identifiers
-
- (5S,11bR)-10-hydroxy-2,9,11-trimethoxy-14-methyl-6,7-dihydro-5,11b-(epiminoethano)dibenzo[a,c][7]annulen-3(5H)-one
- Androcymbine
- (10R)-4-Hydroxy-3,5,14-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
- B-Homomorphinan-7-one, 5,6,8,14-tetradehydro-3-hydroxy-2,4,6-trimethoxy-17-methyl-, (9alpha,13alpha)-
- 2115-98-2
-
- Inchi： 1S/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1
- InChI Key： ABMMKLCVJJTPJD-LHSJRXKWSA-N
- SMILES： COC1C(=O)C=C2[C@]3(C4C(=CC(=C(C=4OC)O)OC)CC[C@@H]2N(C)CC3)C=1
Computed Properties
- Exact Mass: 371.173
- Monoisotopic Mass: 371.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 674
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 68.2A^2
- XLogP3: 1.493
Experimental Properties
- Density: 1.3
- Boiling Point: 597.1°C at 760 mmHg
- Flash Point: 314.9°C
- Refractive Index: 1.624
(5S,11bR)-10-hydroxy-2,9,11-trimethoxy-14-methyl-6,7-dihydro-5,11b-(epiminoethano)dibenzo[a,c][7]annulen-3(5H)-one Related Literature
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
2115-98-2 ((5S,11bR)-10-hydroxy-2,9,11-trimethoxy-14-methyl-6,7-dihydro-5,11b-(epiminoethano)dibenzo[a,c][7]annulen-3(5H)-one) Related Products
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