MACEDONOSIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H62O17
Molecular Weight	838.9315
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C(=O)C=C5[C@]6([H])C[C@@](C)([C@H](O)C[C@]6(C)CC[C@@]45C)C(O)=O)C2(C)C)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=YMGDWMUJTLAHDV-XQBNMYAKSA-N

InChI=1S/C42H62O17/c1-37(2)20-8-11-42(7)31(19(43)14-17-18-15-40(5,36(54)55)21(44)16-38(18,3)12-13-41(17,42)6)39(20,4)10-9-22(37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h14,18,20-31,34-35,44-49H,8-13,15-16H2,1-7H3,(H,50,51)(H,52,53)(H,54,55)/t18-,20-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38-,39-,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H62O17
Molecular Weight	838.9315
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:57:37 UTC 2023` Edited by `admin` on `Sat Dec 16 10:57:37 UTC 2023`
Record UNII	GX55QK7Y8A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MACEDONOSIDE A

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.ALPHA.,21.ALPHA.)-20-CARBOXY-21-HYDROXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Systematic Name

English

(3.BETA.,20.ALPHA.,21.ALPHA.)-20-CARBOXY-21-HYDROXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

MACEDENOSIN A

Common Name

English

(2S,3S,4S,5R,6R)-6-((2R,3R,4S,5S,6S)-2-(((3S,4AR,6AR,6BS,8AS,10R,11S,12AR,14AR,14BS)-11-CARBOXY-10-HYDROXY-4,4,6A,6B,8A,11,14B-HEPTAMETHYL-14-OXO-2,3,4A,5,6,7,8,9,10,12,12A,14A-DODECAHYDRO-1H-PICEN-3-YL)OXY)-6-CARBOXY-4,5-DIHYDROXYOXAN-3-YL)OXY-3,4,5-TRI

Systematic Name

English

Code System Code Type Description

CAS

256441-31-3

Created by admin on Sat Dec 16 10:57:37 UTC 2023 , Edited by admin on Sat Dec 16 10:57:37 UTC 2023

PRIMARY

PUBCHEM

122231317

Created by admin on Sat Dec 16 10:57:37 UTC 2023 , Edited by admin on Sat Dec 16 10:57:37 UTC 2023

PRIMARY

FDA UNII

GX55QK7Y8A

Created by admin on Sat Dec 16 10:57:37 UTC 2023 , Edited by admin on Sat Dec 16 10:57:37 UTC 2023

PRIMARY

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