CORTISTATIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H36N2O3
Molecular Weight	472.6184
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
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=C6[C@@H](O)[C@H](O)[C@H](C[C@]67CC[C@]25O7)N(C)C

InChI

InChIKey=KSGZCKSNTAJOJS-DZBMUNJRSA-N

InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H36N2O3
Molecular Weight	472.6184
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 11:13:48 GMT 2023` Edited by `admin` on `Sat Dec 16 11:13:48 GMT 2023`
Record UNII	6VG04XOV89
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CORTISTATIN A

Common Name

English

CORTISTATINE A

Common Name

English

10A,12A-EPOXYBENZO(4,5)CYCLOHEPT(1,2-E)INDENE-7,8-DIOL, 9-(DIMETHYLAMINO)-1,2,3,3A,4,7,8,9,10,11,12,12B-DODECAHYDRO-3-(7-ISOQUINOLINYL)-3A-METHYL-, (3S,3AR,7R,8R,9S,10AR,12AS,12BR)-

Systematic Name

English

(+)-CORTISTATIN A

Common Name

English

(3S,3AR,7R,8R,9S,10AR,12AS,12BR)-9-(DIMETHYLAMINO)-1,2,3,3A,4,7,8,9,10,11,12,12B-DODECAHYDRO-3-(7-ISOQUINOLINYL)-3A-METHYL-10A,12A-EPOXYBENZO(4,5)CYCLOHEPT(1,2-E)INDENE-7,8-DIOL

Systematic Name

English

CORTISTATIN A [MI]

Common Name

English

Code System Code Type Description

WIKIPEDIA

Cortistatins