CIRRAMYCIN A1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H51NO10
Molecular Weight	597.7373
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=PYLRKBRNWXMGSG-MDYHIPEWSA-N

InChI=1S/C31H51NO10/c1-9-23-18(4)29-31(6,42-29)12-10-21(34)16(2)14-20(11-13-33)28(17(3)22(35)15-24(36)40-23)41-30-27(38)25(32(7)8)26(37)19(5)39-30/h10,12-13,16-20,22-23,25-30,35,37-38H,9,11,14-15H2,1-8H3/b12-10+/t16-,17+,18-,19-,20+,22-,23-,25+,26-,27-,28-,29+,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H51NO10
Molecular Weight	597.7373
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 `Sat Dec 16 10:31:31 GMT 2023` Edited by `admin` on `Sat Dec 16 10:31:31 GMT 2023`
Record UNII	1CV2O1UP9R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIRRAMYCIN A1

Common Name

English

4,17-DIOXABICYCLO(14.1.0)HEPTADEC-14-ENE-10-ACETALDEHYDE, 9-((3,6-DIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-GLUCOPYRANOSYL)OXY)-3-ETHYL-7-HYDROXY-2,8,12,16-TETRAMETHYL-5,13-DIOXO-, (1S-(1R*,2S*,3S*,7S*,8R*,9R*,10S*,12S*,14E,16R*))-

Systematic Name

English

ANTIBIOTIC B 58941B

Code

English

NSC-246129

Code

English

(1S-(1R*,2S*,3S*,7S*,8R*,9R*,10S*,12S*,14E,16R*))-9-((3,6-DIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-GLUCOPYRANOSYL)OXY)-3-ETHYL-7-HYDROXY-2,8,12,16-TETRAMETHYL-5,13-DIOXO-4,17-DIOXABICYCLO(14.1.0)HEPTADEC-14-ENE-10-ACETALDEHYDE

Systematic Name

English

Code System Code Type Description

NSC

246129

Created by admin on Sat Dec 16 10:31:31 GMT 2023 , Edited by admin on Sat Dec 16 10:31:31 GMT 2023

PRIMARY

PUBCHEM

9985981

Created by admin on Sat Dec 16 10:31:31 GMT 2023 , Edited by admin on Sat Dec 16 10:31:31 GMT 2023

PRIMARY

FDA UNII

1CV2O1UP9R

Created by admin on Sat Dec 16 10:31:31 GMT 2023 , Edited by admin on Sat Dec 16 10:31:31 GMT 2023

PRIMARY

CAS

25339-90-6

Created by admin on Sat Dec 16 10:31:31 GMT 2023 , Edited by admin on Sat Dec 16 10:31:31 GMT 2023

PRIMARY