VULGAMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H20O10
Molecular Weight	444.3882
Optical Activity	( - )
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=O)OC(=C1)[C@@H]2[C@]3(O)C[C@H]4OC(=O)[C@]3(O)[C@@H](C(=O)C5=CC=CC=C5)[C@]2(O)[C@@H]4O

InChI

InChIKey=CTBBEXWJRAPJIZ-VHPBLNRZSA-N

InChI=1S/C22H20O10/c1-30-11-7-12(31-14(23)8-11)16-20(27)9-13-18(25)21(16,28)17(22(20,29)19(26)32-13)15(24)10-5-3-2-4-6-10/h2-8,13,16-18,25,27-29H,9H2,1H3/t13-,16-,17+,18-,20-,21+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H20O10
Molecular Weight	444.3882
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:05:34 GMT 2025` Edited by `admin` on `Wed Apr 02 10:05:34 GMT 2025`
Record UNII	2M8WGY5QPQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENTEROCIN

Preferred Name

English

VULGAMYCIN

Common Name

English

(3R,4AR,5S,6S,7S,7AS,8R)-7-BENZOYLHEXAHYDRO-4A,6,7A,8-TETRAHYDROXY-5-(4-METHOXY-2-OXO-2H-PYRAN-6-YL)-3,6-METHANOCYCLOPENTA(C)PYRAN-1(3H)-ONE

Systematic Name

English

3,6-METHANOCYCLOPENTA(C)PYRAN-1(3H)-ONE, 7-BENZOYLHEXAHYDRO-4A,6,7A,8-TETRAHYDROXY-5-(4-METHOXY-2-OXO-2H-PYRAN-6-YL)-, (3R,4AR,5S,6S,7S,7AS,8R)-

Systematic Name

English

3,6-METHANOCYCLOPENTA(C)PYRAN-1(3H)-ONE, 7-BENZOYLHEXAHYDRO-4A,6,7A,8-TETRAHYDROXY-5-(4-METHOXY-2-OXO-2H-PYRAN-6-YL)-, (3R-(3.ALPHA.,4A.BETA.,5.ALPHA.,6.BETA.,7.BETA.,7A.BETA.,8R*))-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Vulgamycin