ASPERLICIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H29N5O5
Molecular Weight	551.5925
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]1N(O)[C@H]2N(C1=O)C3=C(C=CC=C3)[C@@]2(O)C[C@@H]4NC(=O)C5=C(C=CC=C5)N6C(=O)C7=C(C=CC=C7)N=C46

InChI

InChIKey=SVMKNJGSJSFLSU-IWENFQHWSA-N

InChI=1S/C31H29N5O5/c1-17(2)15-25-29(39)35-24-14-8-5-11-20(24)31(40,30(35)36(25)41)16-22-26-32-21-12-6-3-9-18(21)28(38)34(26)23-13-7-4-10-19(23)27(37)33-22/h3-14,17,22,25,30,40-41H,15-16H2,1-2H3,(H,33,37)/t22-,25-,30+,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H29N5O5
Molecular Weight	551.5925
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 `Wed Apr 02 12:07:52 GMT 2025` Edited by `admin` on `Wed Apr 02 12:07:52 GMT 2025`
Record UNII	U09MKY29YG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASPERLICIN B

Common Name

English

ASPERLICIN B [MI]

Preferred Name

English

QUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-5,13-DIONE, 6,7-DIHYDRO-7-(((2S,9S,9AR)-2,3,9,9A-TETRAHYDRO-1,9-DIHYDROXY-2-(2-METHYLPROPYL)-3-OXO-1H-IMIDAZO(1,2-A)INDOL-9-YL)METHYL)-, (7S)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80918452