APLASMOMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H60BO14.Na
Molecular Weight	798.697
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12O[B-]34O[C@@]([H])(C(=O)O[C@H]5C[C@H](O[C@@H]5C)\C=C\C[C@@H](O)C(C)(C)[C@]6([H])CC[C@@H](C)[C@@]1(O3)O6)[C@]7(O4)O[C@@]([H])(CC[C@H]7C)C(C)(C)[C@H](O)C\C=C\[C@@H]8C[C@H](OC2=O)[C@@H](C)O8

InChI

InChIKey=GEIYDRPAWIMINR-ZDKANEFWSA-N

InChI=1S/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1/b11-9+,12-10+;/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39+,40+,41?;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C40H59BO14
Molecular Weight	774.699
Charge	-1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	16 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:33:34 GMT 2023` Edited by `admin` on `Sat Dec 16 09:33:34 GMT 2023`
Record UNII	188EIU3O75
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APLASMOMYCIN

Common Name

English

ICI-122378

Code

English

(+)-APLASMOMYCIN

Common Name

English

APLASMOMYCIN [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m1994