ATISINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H33NO2
Molecular Weight	343.5029
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OCCN1C[C@]3(C)CCC[C@@]24[C@]3([H])CC[C@@]56CC[C@@H](C[C@@]45[H])C(=C)[C@H]6O

InChI

InChIKey=KWVIBDAKHDJCNY-PTRUQLRHSA-N

InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H33NO2
Molecular Weight	343.5029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:08:53 GMT 2023` Edited by `admin` on `Sat Dec 16 10:08:53 GMT 2023`
Record UNII	V81K1MMX3X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ATISINE

Common Name

English

ANTHORINE

Common Name

English

ATISINE [MI]

Common Name

English

9H,12CH-8A,11-ETHANO-6,12B-PROPANO-5H-BENZ(H)OXAZOLO(2,3-A)ISOQUINOLIN-9-OL, DECAHYDRO-6-METHYL-10-METHYLENE-, (6R,6AR,8AS,9R,11S,12AR,12BS,12CS)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50963611