AVILAMYCIN A

Details

Stereochemistry	EPIMERIC
Molecular Formula	C61H88Cl2O32
Molecular Weight	1404.238
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](COC)O[C@@H](O[C@@H]8OC[C@@H]9O[C@]%10(O[C@H]9[C@H]8OC(=O)C(C)C)O[C@H](C)[C@](O)([C@@H]%11OCO[C@@H]%10%11)C(C)=O)[C@@H](OC)[C@H]7O)O[C@H](C)[C@@H]6OC)O[C@@H]2C

InChI

InChIKey=XIRGHRXBGGPPKY-FCNCREMHSA-N

InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56+,57+,58-,59?,60+,61-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C61H88Cl2O32
Molecular Weight	1404.238
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 `Fri Dec 15 18:48:50 GMT 2023` Edited by `admin` on `Fri Dec 15 18:48:50 GMT 2023`
Record UNII	NI4I9W2OK6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVILAMYCIN A

Common Name

English

AVILAMYCIN A [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

20054845