AVILAMYCIN D1

Details

Stereochemistry	EPIMERIC
Molecular Formula	C57H82Cl2O31
Molecular Weight	1334.148
Optical Activity	UNSPECIFIED
Defined Stereocenters	30 / 31
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12OC3(C[C@@H](O)[C@H](O[C@H]4C[C@@H](O)[C@H](OC(=O)C5=C(C)C(Cl)=C(O)C(Cl)=C5OC)[C@@H](C)O4)[C@@H](C)O3)O[C@]1(C)C[C@H](O[C@@H]6[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@H](OC)[C@H](O[C@@H]8OC[C@@H]9O[C@]%10(O[C@H]9[C@H]8O)O[C@H](C)[C@](O)([C@@H]%11OCO[C@@H]%10%11)C(C)=O)O[C@@H]7COC)O[C@H](C)[C@@H]6OC)O[C@@H]2C

InChI

InChIKey=DWNCSJFZZSIORO-KVWOVNLLSA-N

InChI=1S/C57H82Cl2O31/c1-19-32(44(71-11)34(59)35(63)33(19)58)50(67)82-39-20(2)76-30(13-26(39)61)80-40-22(4)85-55(14-27(40)62)89-47-23(5)77-31(15-54(47,8)90-55)81-45-38(66)52(78-21(3)41(45)70-10)83-42-28(16-69-9)79-53(46(72-12)36(42)64)84-51-37(65)43-29(17-73-51)87-57(88-43)49-48(74-18-75-49)56(68,24(6)60)25(7)86-57/h20-23,25-31,36-43,45-49,51-53,61-66,68H,13-18H2,1-12H3/t20-,21-,22-,23-,25-,26-,27-,28-,29+,30+,31+,36+,37-,38-,39-,40-,41+,42-,43-,45-,46+,47-,48-,49-,51+,52+,53+,54-,55?,56+,57-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C57H82Cl2O31
Molecular Weight	1334.148
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	30 / 31
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:06:07 GMT 2023` Edited by `admin` on `Sat Dec 16 00:06:07 GMT 2023`
Record UNII	S4FAY48601
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVILAMYCIN D1

Common Name

English

Code System Code Type Description

FDA UNII

S4FAY48601

Created by admin on Sat Dec 16 00:06:07 GMT 2023 , Edited by admin on Sat Dec 16 00:06:07 GMT 2023

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PUBCHEM

71587301

Created by admin on Sat Dec 16 00:06:07 GMT 2023 , Edited by admin on Sat Dec 16 00:06:07 GMT 2023

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EPA CompTox

DTXSID50231660

Created by admin on Sat Dec 16 00:06:07 GMT 2023 , Edited by admin on Sat Dec 16 00:06:07 GMT 2023

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CAS

82278-49-7

Created by admin on Sat Dec 16 00:06:07 GMT 2023 , Edited by admin on Sat Dec 16 00:06:07 GMT 2023

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