2'-O-ACETYLTHEVETIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H66O20
Molecular Weight	914.9828
Optical Activity	UNSPECIFIED
Defined Stereocenters	23 / 23
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=UUHPKSYVONCTBB-HRSMOJDTSA-N

InChI=1S/C44H66O20/c1-19-36(64-40-35(54)33(52)31(50)28(63-40)17-58-39-34(53)32(51)30(49)27(15-45)62-39)37(56-4)38(60-20(2)47)41(59-19)61-23-7-11-43(18-46)22(14-23)5-6-26-25(43)8-10-42(3)24(9-12-44(26,42)55)21-13-29(48)57-16-21/h13,18-19,22-28,30-41,45,49-55H,5-12,14-17H2,1-4H3/t19-,22+,23-,24+,25-,26+,27+,28+,30+,31+,32-,33-,34+,35+,36-,37+,38-,39+,40-,41-,42+,43+,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H66O20
Molecular Weight	914.9828
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 `Mon Mar 31 23:25:16 GMT 2025` Edited by `admin` on `Mon Mar 31 23:25:16 GMT 2025`
Record UNII	ULY757E5YD
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2'-O-ACETYLTHEVETIN A

Common Name

English

2'-O-ACETYL-19-OXOTHEVETIN B

Preferred Name

English

ACETYLTHEVETIN A

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

102341662

Created by admin on Mon Mar 31 23:25:16 GMT 2025 , Edited by admin on Mon Mar 31 23:25:16 GMT 2025

PRIMARY

CAS

1356494-03-5

Created by admin on Mon Mar 31 23:25:16 GMT 2025 , Edited by admin on Mon Mar 31 23:25:16 GMT 2025

PRIMARY

FDA UNII

ULY757E5YD

Created by admin on Mon Mar 31 23:25:16 GMT 2025 , Edited by admin on Mon Mar 31 23:25:16 GMT 2025

PRIMARY