VERTICILLIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H28N6O7S4
Molecular Weight	712.839
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12NC3=CC=CC=C3[C@]1([C@H](O)[C@]45SS[C@](C)(N(C)C4=O)C(=O)N25)[C@]67[C@H](O)[C@]89SS[C@](CO)(N(C)C8=O)C(=O)N9[C@@]6([H])NC%10=CC=CC=C7%10

InChI

InChIKey=YABFNIMWFFFBHC-LRESJZTJSA-N

InChI=1S/C30H28N6O7S4/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H28N6O7S4
Molecular Weight	712.839
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:16:37 GMT 2023` Edited by `admin` on `Sat Dec 16 09:16:37 GMT 2023`
Record UNII	7E33TE4BW9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERTICILLIN B

Common Name

English

(10B,10'B(11H,11'H)-BI-3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE)-1,1',4,4'-TETRONE, 2,2',3,3',5A,5'A,6,6'-OCTAHYDRO-11,11'-DIHYDROXY-3-(HYDROXYMETHYL)-2,2',3'-TRIMETHYL-, (3S,3'S,5AR,5'AR,10BS,10'BS,11S,11'S,11AS,11'AS)-

Systematic Name

English

VERTICILLIN B [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

46885542

Created by admin on Sat Dec 16 09:16:37 GMT 2023 , Edited by admin on Sat Dec 16 09:16:37 GMT 2023

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CAS

52212-86-9

Created by admin on Sat Dec 16 09:16:37 GMT 2023 , Edited by admin on Sat Dec 16 09:16:37 GMT 2023

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MERCK INDEX

m11434

Created by admin on Sat Dec 16 09:16:37 GMT 2023 , Edited by admin on Sat Dec 16 09:16:37 GMT 2023

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Merck Index

FDA UNII

7E33TE4BW9

Created by admin on Sat Dec 16 09:16:37 GMT 2023 , Edited by admin on Sat Dec 16 09:16:37 GMT 2023

PRIMARY