CORTISTATIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H36N2O4
Molecular Weight	488.6178
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O)[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=UOILBRZCKBLNDS-KMWHWPCOSA-N

InChI=1S/C30H36N2O4/c1-28-8-6-20-13-21-26(34)27(35)22(32(2)3)15-29(21)9-10-30(20,36-29)24(28)14-23(33)25(28)18-5-4-17-7-11-31-16-19(17)12-18/h4-7,11-13,16,22-27,33-35H,8-10,14-15H2,1-3H3/t22-,23-,24+,25-,26+,27+,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H36N2O4
Molecular Weight	488.6178
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
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	R88X33F45Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CORTISTATIN B

Common Name

English

CORTISTATINE B

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

11627276