CORTISTATIN J

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H34N2O
Molecular Weight	438.6038
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](C3=CC4=C(C=CN=C4)C=C3)[C@@]1(C)CC=C5C=C6C=C[C@H](C[C@]67CC[C@]25O7)N(C)C

InChI

InChIKey=FJXAOLJCOASQTL-VHNXJUCRSA-N

InChI=1S/C30H34N2O/c1-28-12-10-24-17-23-6-7-25(32(2)3)18-29(23)13-14-30(24,33-29)27(28)9-8-26(28)21-5-4-20-11-15-31-19-22(20)16-21/h4-7,10-11,15-17,19,25-27H,8-9,12-14,18H2,1-3H3/t25-,26-,27-,28-,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H34N2O
Molecular Weight	438.6038
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:13:49 GMT 2023` Edited by `admin` on `Sat Dec 16 11:13:49 GMT 2023`
Record UNII	F69CWM0JQX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CORTISTATIN J

Common Name

English

(3S,3AR,9S,10AR,12AS,12BR)-1,2,3,3A,4,9,10,11,12,12B-DECAHYDRO-3-(7-ISOQUINOLINYL)-N,N,3A-TRIMETHYL-10A,12A-EPOXYBENZO(4,5)CYCLOHEPT(1,2-E)INDEN-9-AMINE

Systematic Name

English

(-)-CORTISTATIN J

Common Name

English

CORTISTATIN J [MI]

Common Name

English

CORTISTATINE J

Common Name

English

10A,12A-EPOXYBENZO(4,5)CYCLOHEPT(1,2-E)INDEN-9-AMINE, 1,2,3,3A,4,9,10,11,12,12B-DECAHYDRO-3-(7-ISOQUINOLINYL)-N,N,3A-TRIMETHYL-, (3S,3AR,9S,10AR,12AS,12BR)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901336421