16-ACETYLGITOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H66O15
Molecular Weight	822.9751
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=NEBPBFLVSYFRQE-FVNRWCPUSA-N

InChI=1S/C43H66O15/c1-20-38(49)29(45)15-35(52-20)57-40-22(3)54-36(17-31(40)47)58-39-21(2)53-34(16-30(39)46)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(48)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,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	C43H66O15
Molecular Weight	822.9751
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 `Wed Apr 02 07:35:25 GMT 2025` Edited by `admin` on `Wed Apr 02 07:35:25 GMT 2025`
Record UNII	B0P0OCH2K3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16-ACETYLGITOXIN

Common Name

English

16-ACETYL GITOXIN

Preferred Name

English

CARD-20(22)-ENOLIDE, 16-(ACETYLOXY)-3-((O-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)-14-HYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-

Systematic Name

English

GITOXIN 16.BETA.-ACETATE

Common Name

English

GITOXIGENIN TRIDIGITOXOSIDE-16-ACETATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90993235