CORTISTATIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H34N2O5
Molecular Weight	502.6014
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(=O)[C@](O)(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=VSVYWUPPYDXESC-OMXDIREYSA-N

InChI=1S/C30H34N2O5/c1-27-8-6-19-13-21-25(34)26(35)22(32(2)3)15-28(21)9-10-29(19,37-28)23(27)14-24(33)30(27,36)20-5-4-17-7-11-31-16-18(17)12-20/h4-7,11-13,16,22-23,25-26,34-36H,8-10,14-15H2,1-3H3/t22-,23+,25+,26+,27-,28+,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H34N2O5
Molecular Weight	502.6014
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 11:13:50 GMT 2023` Edited by `admin` on `Sat Dec 16 11:13:50 GMT 2023`
Record UNII	YZT97E2Q3F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CORTISTATIN D

Common Name

English

CORTISTATINE D

Common Name

English

10A,12A-EPOXYBENZO(4,5)CYCLOHEPT(1,2-E)INDEN-2(3H)-ONE, 9-(DIMETHYLAMINO)-1,3A,4,7,8,9,10,11,12,12B-DECAHYDRO-3,7,8-TRIHYDROXY-3-(7-ISOQUINOLINYL)-3A-METHYL-, (3R,3AS,7R,8R,9S,10AR,12AS,12BR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

YZT97E2Q3F

Created by admin on Sat Dec 16 11:13:50 GMT 2023 , Edited by admin on Sat Dec 16 11:13:50 GMT 2023

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CAS

882976-98-9

Created by admin on Sat Dec 16 11:13:50 GMT 2023 , Edited by admin on Sat Dec 16 11:13:50 GMT 2023

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EPA CompTox

DTXSID401336414

Created by admin on Sat Dec 16 11:13:50 GMT 2023 , Edited by admin on Sat Dec 16 11:13:50 GMT 2023

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PUBCHEM

11562436

Created by admin on Sat Dec 16 11:13:50 GMT 2023 , Edited by admin on Sat Dec 16 11:13:50 GMT 2023

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