CERVIMYCIN K1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H75NO22
Molecular Weight	1114.1882
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@H](O)[C@H](C)O1)O[C@H]2CC[C@]([H])(O[C@H]3CC[C@]([H])(O[C@H]4CC[C@]([H])(O[C@H]5C(O)=C(C(N)=O)C(=O)[C@]8(O[C@@]6([H])CC[C@H](O[C@@]7([H])CC[C@H](O)[C@@H](C)O7)[C@@H](C)O6)C(=O)C9=C(C[C@]58[H])C=C%10C(=O)C(OC)=CC(=O)C%10=C9O)O[C@@H]4C)O[C@H]3C)O[C@H]2C

InChI

InChIKey=MXFCSYMIJBEZOP-BTYMIDDJSA-N

InChI=1S/C56H75NO22/c1-23-32(58)8-14-40(68-23)74-35-10-16-42(70-25(35)3)76-36-11-17-43(71-26(36)4)77-37-12-18-44(72-27(37)5)78-52-31-21-29-20-30-47(34(60)22-39(67-7)49(30)61)50(62)46(29)53(64)56(31,54(65)48(51(52)63)55(57)66)79-45-19-13-38(28(6)73-45)75-41-15-9-33(59)24(2)69-41/h20,22-28,31-33,35-38,40-45,52,58-59,62-63H,8-19,21H2,1-7H3,(H2,57,66)/t23-,24+,25-,26-,27+,28+,31+,32-,33-,35-,36-,37-,38-,40-,41-,42-,43-,44-,45-,52+,56+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C56H75NO22
Molecular Weight	1114.1882
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:38:14 GMT 2023` Edited by `admin` on `Fri Dec 15 16:38:14 GMT 2023`
Record UNII	SW8DUS825A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CERVIMYCIN K1

Common Name

English

HKI-10311129

Code

English

HKI10311129

Code

English

(4AR,12AR)-1,4,4A,5,7,10,12,12A-OCTAHYDRO-3,11-DIHYDROXY-8-METHOXY-1,7,10,12-TETRAOXO-12A-(((2S,5S,6R)-TETRAHYDRO-6-METHYL-5-(((2S,5S,6R)-TETRAHYDRO-5-HYDROXY-6-METHYL-2H-PYRAN-2-YL)OXY)-2H-PYRAN-2-YL)OXY)-4-(((2S,5S,6R)-TETRAHYDRO-6-METHYL-5-(((2S,5S,6S

Systematic Name

English

Code System Code Type Description

CAS

863562-80-5

Created by admin on Fri Dec 15 16:38:14 GMT 2023 , Edited by admin on Fri Dec 15 16:38:14 GMT 2023

PRIMARY

FDA UNII

SW8DUS825A

Created by admin on Fri Dec 15 16:38:14 GMT 2023 , Edited by admin on Fri Dec 15 16:38:14 GMT 2023

PRIMARY

Related Record Type Details


					SW8DUS825A

CERVIMYCIN K1

ACTIVE MOIETY