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

CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]4NC5=CC=CC=C5[C@]4([C@@H]3O)[C@]67[C@H](NC8=CC=CC=C68)N9C(=O)[C@]%10(CO)SS[C@@]9([C@H]7O)C(=O)N%10C

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

Approval Year

Name

Type

Language

VERTICILLIN B

Common Name

English

VERTICILLIN B [MI]

Preferred 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

Code System Code Type Description

PUBCHEM

46885542

Created by admin on Mon Mar 31 22:36:01 GMT 2025 , Edited by admin on Mon Mar 31 22:36:01 GMT 2025

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CAS

52212-86-9

Created by admin on Mon Mar 31 22:36:01 GMT 2025 , Edited by admin on Mon Mar 31 22:36:01 GMT 2025

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MERCK INDEX

m11434

Created by admin on Mon Mar 31 22:36:01 GMT 2025 , Edited by admin on Mon Mar 31 22:36:01 GMT 2025

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Merck Index

FDA UNII

7E33TE4BW9

Created by admin on Mon Mar 31 22:36:01 GMT 2025 , Edited by admin on Mon Mar 31 22:36:01 GMT 2025

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SUBSTANCE RECORD


					7E33TE4BW9

VERTICILLIN B