SPORIDESMIN J

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H18ClN3O6S2
Molecular Weight	459.924
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12NC3=C(C=C(Cl)C(OC)=C3OC)[C@@]1(O)[C@@H](O)[C@@]45SS[C@@](C)(N(C)C4=O)C(=O)N25

InChI

InChIKey=QMMDQXDENCYFDX-UNTBTUBKSA-N

InChI=1S/C17H18ClN3O6S2/c1-15-13(23)21-12-16(25,11(22)17(21,29-28-15)14(24)20(15)2)6-5-7(18)9(26-3)10(27-4)8(6)19-12/h5,11-12,19,22,25H,1-4H3/t11-,12-,15-,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H18ClN3O6S2
Molecular Weight	459.924
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:03:27 GMT 2023` Edited by `admin` on `Sat Dec 16 02:03:27 GMT 2023`
Record UNII	Y7B4283R4S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPORIDESMIN J

Common Name

English

DE-N6-METHYLSPORIDESMIN

Common Name

English

(±)-SPORIDESMIN J

Common Name

English

SPORIDESMIN J, (±)-

Common Name

English

3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-1,4-DIONE, 9-CHLORO-2,3,5A,6,10B,11-HEXAHYDRO-10B,11-DIHYDROXY-7,8-DIMETHOXY-2,3-DIMETHYL-, (3R-(3.ALPHA.,5A.ALPHA.,10B.ALPHA.,11.BETA.,11A.ALPHA.))-

Common Name

English

Code System Code Type Description

PUBCHEM

155335

Created by admin on Sat Dec 16 02:03:27 GMT 2023 , Edited by admin on Sat Dec 16 02:03:27 GMT 2023

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CAS

69799-25-3

Created by admin on Sat Dec 16 02:03:27 GMT 2023 , Edited by admin on Sat Dec 16 02:03:27 GMT 2023

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FDA UNII

Y7B4283R4S

Created by admin on Sat Dec 16 02:03:27 GMT 2023 , Edited by admin on Sat Dec 16 02:03:27 GMT 2023

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EPA CompTox

DTXSID60990054

Created by admin on Sat Dec 16 02:03:27 GMT 2023 , Edited by admin on Sat Dec 16 02:03:27 GMT 2023

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