DEOXYTRYPTOQUIVALINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H30N4O6
Molecular Weight	530.5717
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](OC(C)=O)C1=NC2=C(C=CC=C2)C(=O)N1[C@@H]3C[C@@]4(OC3=O)[C@@H]5NC(C)(C)C(=O)N5C6=CC=CC=C46

InChI

InChIKey=IMOPNDYCCIZBPJ-STOWFVKWSA-N

InChI=1S/C29H30N4O6/c1-15(2)22(38-16(3)34)23-30-19-12-8-6-10-17(19)24(35)32(23)21-14-29(39-25(21)36)18-11-7-9-13-20(18)33-26(29)31-28(4,5)27(33)37/h6-13,15,21-22,26,31H,14H2,1-5H3/t21-,22+,26-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H30N4O6
Molecular Weight	530.5717
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:55:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:02 GMT 2025`
Record UNII	M7VX9GXW7A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEOXYTRYPTOQUIVALINE

Common Name

English

DEOXYTRYPTOQUIVALINE A

Preferred Name

English

SPIRO(FURAN-2(5H),9'-(9H)IMIDAZO(1,2-A)INDOLE)-3',5(2'H)-DIONE, 4-(2-(1-(ACETYLOXY)-2-METHYLPROPYL)-4-OXO-3(4H)-QUINAZOLINYL)-1',3,4,9'A-TETRAHYDRO-2',2'-DIMETHYL-, (9'S-(9'.ALPHA.(4S*(R*)),9'A.BETA.))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71725699

Created by admin on Mon Mar 31 21:55:02 GMT 2025 , Edited by admin on Mon Mar 31 21:55:02 GMT 2025

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FDA UNII

M7VX9GXW7A

Created by admin on Mon Mar 31 21:55:02 GMT 2025 , Edited by admin on Mon Mar 31 21:55:02 GMT 2025

PRIMARY

CAS

60676-57-5

Created by admin on Mon Mar 31 21:55:02 GMT 2025 , Edited by admin on Mon Mar 31 21:55:02 GMT 2025

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EPA CompTox

DTXSID10976106

Created by admin on Mon Mar 31 21:55:02 GMT 2025 , Edited by admin on Mon Mar 31 21:55:02 GMT 2025

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