ACETYLTHEVETIN A, (ALL O-ACETYL)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C58H80O27
Molecular Weight	1209.2396
Optical Activity	UNSPECIFIED
Defined Stereocenters	23 / 23
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETYLTHEVETIN A, (ALL O-ACETYL)-

Structure Search

SMILES

[H][C@@]6(O[C@H]1CC[C@@]2(C=O)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)C1)O[C@@H](C)[C@H](O[C@]7([H])O[C@H](CO[C@@H]8O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]8OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)[C@@H](OC)[C@@H]6OC(C)=O

InChI

InChIKey=BODNAXGZMZECKO-YZQHKENLSA-N

InChI=1S/C58H80O27/c1-26-44(47(70-11)50(79-32(7)65)54(74-26)82-37-14-18-57(25-59)36(21-37)12-13-40-39(57)15-17-56(10)38(16-19-58(40,56)69)35-20-43(68)72-22-35)85-55-52(81-34(9)67)49(78-31(6)64)46(76-29(4)62)42(84-55)24-73-53-51(80-33(8)66)48(77-30(5)63)45(75-28(3)61)41(83-53)23-71-27(2)60/h20,25-26,36-42,44-55,69H,12-19,21-24H2,1-11H3/t26-,36+,37-,38+,39-,40+,41+,42+,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55-,56+,57+,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C58H80O27
Molecular Weight	1209.2396
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	23 / 23
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:52 GMT 2023` Edited by `admin` on `Sat Dec 16 10:44:52 GMT 2023`
Record UNII	6H3828433I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETYLTHEVETIN A, (ALL O-ACETYL)-

Common Name

English

THEVETIN A ACETYL DERIVATIVE [MI]

Common Name

English

CARD-20(22)-ENOLIDE, 14-HYDROXY-19-OXO-3-((O-2,3,4,6-TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL-(1->6)-O-2,3,4-TRI-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL-(1->4)-2-O-ACETYL-6-DEOXY-3-O-METHYL-.ALPHA.-L-GLUCOPYRANOSYL)OXY)-, (3.BETA.,5.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90479481

Created by admin on Sat Dec 16 10:44:52 GMT 2023 , Edited by admin on Sat Dec 16 10:44:52 GMT 2023

PRIMARY

CAS

63971-10-8

Created by admin on Sat Dec 16 10:44:52 GMT 2023 , Edited by admin on Sat Dec 16 10:44:52 GMT 2023

PRIMARY

MERCK INDEX

m10709

Created by admin on Sat Dec 16 10:44:52 GMT 2023 , Edited by admin on Sat Dec 16 10:44:52 GMT 2023

PRIMARY

Merck Index

FDA UNII

6H3828433I

Created by admin on Sat Dec 16 10:44:52 GMT 2023 , Edited by admin on Sat Dec 16 10:44:52 GMT 2023

PRIMARY