ENDUSAMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H78O14
Molecular Weight	867.1138
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@H](C)[C@]2(O1)O[C@]([H])(CC[C@H]2C)[C@@]3(C)O[C@]5(C[C@H]3O[C@@]4([H])CC[C@H](OC)[C@@H](C)O4)C[C@H](O)[C@@H](C)[C@]([H])(O5)[C@@H](C)\C=C(/C)C(=O)[C@H](C)C[C@H](C)C(O)=O)[C@@]6([H])O[C@@](O)(CO)[C@H](C)C[C@@H]6C

InChI

InChIKey=IXZQKHXEQYZXTP-RATZTJMHSA-N

InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-32(9)34(49)21-45(59-41)22-38(56-39-16-14-35(54-12)33(10)55-39)44(11,61-45)37-15-13-29(6)47(58-37)31(8)20-36(57-47)42-27(4)19-30(7)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,41-,42+,44-,45+,46+,47-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C47H78O14
Molecular Weight	867.1138
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 21
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:37:05 GMT 2023` Edited by `admin` on `Sat Dec 16 01:37:05 GMT 2023`
Record UNII	XE5GN2P1IT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENDUSAMYCIN

Common Name

English

CP-63517

Code

English

DIANEMYCIN, 19-DE((TETRAHYDRO-5-METHOXY-6-METHYL-2H-PYRAN-2-YL)OXY)-15-((TETRAHYDRO-5-METHOXY-6-METHYL-2H-PYRAN-2-YL)OXY)-, (15(2S,5S,6R))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

121232594

Created by admin on Sat Dec 16 01:37:05 GMT 2023 , Edited by admin on Sat Dec 16 01:37:05 GMT 2023

PRIMARY

CAS

100242-41-9

Created by admin on Sat Dec 16 01:37:05 GMT 2023 , Edited by admin on Sat Dec 16 01:37:05 GMT 2023

PRIMARY

FDA UNII

XE5GN2P1IT

Created by admin on Sat Dec 16 01:37:05 GMT 2023 , Edited by admin on Sat Dec 16 01:37:05 GMT 2023

PRIMARY