.ALPHA.-ACETYLDIGINATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H66O16
Molecular Weight	838.9745
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1O[C@H](C[C@H](OC(C)=O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H]([C@@H](O)C[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C

InChI

InChIKey=CUHQHCLMUYZUSC-MHVAIIKISA-N

InChI=1S/C43H66O16/c1-19-38(50)31(56-22(4)44)16-36(53-19)59-40-21(3)55-35(15-29(40)46)58-39-20(2)54-34(14-28(39)45)57-25-9-10-41(5)24(12-25)7-8-26-27(41)13-32(48)42(6)37(23-11-33(49)52-18-23)30(47)17-43(26,42)51/h11,19-21,24-32,34-40,45-48,50-51H,7-10,12-18H2,1-6H3/t19-,20-,21-,24-,25+,26-,27+,28+,29+,30+,31+,32-,34+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H66O16
Molecular Weight	838.9745
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:23:59 GMT 2025` Edited by `admin` on `Mon Mar 31 23:23:59 GMT 2025`
Record UNII	04AIE8042O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-ACETYLDIGINATIN

Common Name

English

ACETYLDIGINATIN-.ALPHA. [MI]

Preferred Name

English

DIGINATIN, .ALPHA.-ACETYL-

Common Name

English

CARD-20(22)-ENOLIDE, 3-((O-3-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12,14,16-TRIHYDROXY-, (3.BETA.,5.BETA.,12.BETA.,16.BETA.)-

Common Name

English

Code System Code Type Description

CAS

62702-51-6

Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025

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FDA UNII

04AIE8042O

Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025

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MERCK INDEX

m4445

Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025

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Merck Index

PUBCHEM

73425496

Created by admin on Mon Mar 31 23:23:59 GMT 2025 , Edited by admin on Mon Mar 31 23:23:59 GMT 2025

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