VENTURICIDIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H67NO11
Molecular Weight	749.9708
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@H](O2)C(C)=CCCC[C@@H](O[C@H]3C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O3)\C=C\[C@H](C)C[C@H]1C

InChI

InChIKey=HHQKNFDAEDTRJK-KXQVSFSQSA-N

InChI=1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16-15+,24-13-/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H67NO11
Molecular Weight	749.9708
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:00:09 GMT 2025` Edited by `admin` on `Mon Mar 31 22:00:09 GMT 2025`
Record UNII	46L30W9XBB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VENTURICIDIN A

Common Name

English

4,21-DIOXABICYCLO(15.3.1)HENEICOSA-9,15,18-TRIEN-3-ONE, 11-((3-O-(AMINOCARBONYL)-2,6-DIDEOXY-.BETA.-D-ARABINO-HEXOPYRANOSYL)OXY)-1-HYDROXY-5-((1R,3R,4S,5S)-4-HYDROXY-1,3,5-TRIMETHYL-6-OXOOCTYL)-6,8,16,18-TETRAMETHYL-, (1R,5S,6R,8R,9E,11R,15E,17R)-

Preferred Name

English

VENTURICIDIN A [MI]

Common Name

English

VENTURICIDIN B, 3'-CARBAMATE

Common Name

English

VENTURICIDIN B 3'-CARBAMATE

Common Name

English

AABOMYCIN A1

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID201317371