BOROMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H73BNO15.H
Molecular Weight	879.878
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[H][C@]12CC[C@@H](C)[C@]3(O[B-]45O[C@@H](C(=O)O[C@H]6C[C@@H](CCC[C@@H](O)C1(C)C)O[C@@H]6C)[C@@]7(O4)O[C@@]([H])(CC[C@H]7C)C(C)(C)[C@@H](O)CCC=CC[C@H](OC(=O)[C@@H]3O5)[C@@H](C)OC(=O)[C@H](N)C(C)C)O2

InChI

InChIKey=OOBFYEMEQCZLJL-QOSBFELUSA-O

InChI=1S/C45H73BNO15/c1-24(2)36(47)39(50)54-27(5)30-16-12-11-13-17-32(48)42(7,8)34-21-19-26(4)45(57-34)38-41(52)56-31-23-29(53-28(31)6)15-14-18-33(49)43(9,10)35-22-20-25(3)44(58-35)37(40(51)55-30)59-46(60-38,61-44)62-45/h11-12,24-38,48-49H,13-23,47H2,1-10H3/q-1/p+1/b12-11-/t25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37+,38+,44-,45-,46?/m1/s1

HIDE SMILES / InChI

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	C45H73BNO15
Molecular Weight	878.87
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:09 UTC 2023` Edited by `admin` on `Sat Dec 16 11:00:09 UTC 2023`
Record UNII	49559OZO07
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOROMYCIN

Common Name

English

BOROMYCIN [MI]

Common Name

English

TMC-25A

Code

English

NSC-121380

Code

English

Code System Code Type Description

EPA CompTox

DTXSID10896996