ATRACTYLOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H44O16S2.2K
Molecular Weight	802.987
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].[K+].[H][C@@]5(O[C@@H]1C[C@@H](C(O)=O)[C@@]2([H])CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]2(C)C1)C(=C)[C@@H]4O)O[C@H](CO)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]5OC(=O)CC(C)C

InChI

InChIKey=IUCNQFHEWLYECJ-FNAJZLPOSA-L

InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C30H44O16S2
Molecular Weight	724.791
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:55:41 UTC 2023` Edited by `admin` on `Sat Dec 16 09:55:41 UTC 2023`
Record UNII	H6WC6L09RM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATRACTYLOSIDE

Common Name

English

19-NORKAUR-16-EN-18-OIC ACID, 15-HYDROXY-2-((2-O-(3-METHYL-1-OXOBUTYL)-3,4-DI-O-SULFO-.BETA.-D-GLUCOPYRANOSYL)OXY)-, DIPOTASSIUM SALT, (2.BETA.,4.ALPHA.,15.ALPHA.)-

Systematic Name

English

ATRACTYLIC ACID, DIPOTASSIUM SALT

Common Name

English

ATRACTYLIN, POTASSIUM SALT

Common Name

English

19-NORKAUR-16-EN-18-OIC ACID, 15-HYDROXY-2-((2-O-(3-METHYL-1-OXOBUTYL)-3,4-DI-O-SULFO-.BETA.-D-GLUCOPYRANOSYL)OXY)-, POTASSIUM SALT (1:2), (2.BETA.,4.ALPHA.,15.ALPHA.)-

Systematic Name

English

DIPOTASSIUM HYDROGEN 15.ALPHA.-HYDROXY-2.BETA.-((2-O-ISOVALERYL- 3,4.ALPHA.-DI-O-SULPHONATO-.BETA.-D-GLUCOPYRANOSYL)OXY)-19- NORKAUR-16-EN-18-OATE

Common Name

English

15-HYDROXY-2-((2-O-(3-METHYL-1-OXOBUTYL)-3,4-DI-O-SULFO- .BETA.-D-GLUCOPYRANOSYL)OXY)-19-NORKAUR-16-EN-18-OIC ACID DIPOTASSIUM SALT, (2.BETA.,4.ALPHA.,15.ALPHA.)-

Common Name

English

ATRACTYLOSIDE [MI]

Common Name

English

POTASSIUM ATRACTYLATE

Common Name

English

Code System Code Type Description

CAS

17754-44-8