ASTRAGALOSIDE III

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H68O14
Molecular Weight	784.9702
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([C@@H](O)C[C@@]2(C)[C@]3([H])C[C@H](O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C4(C)C)[C@@]8(C)CC[C@H](O8)C(C)(C)O

InChI

InChIKey=FVFSMBDVZVUETN-BQAOMNQWSA-N

InChI=1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H68O14
Molecular Weight	784.9702
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 `Sat Dec 16 11:20:05 UTC 2023` Edited by `admin` on `Sat Dec 16 11:20:05 UTC 2023`
Record UNII	WVP53009FC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASTRAGALOSIDE III

Common Name

English

ASTRAGALOSIDE III (CONSTITUENT OF ASTRAGALUS) [DSC]

Common Name

English

.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,6.ALPHA.,16.BETA.,20R,24S)-20,24-EPOXY-6,16,25-TRIHYDROXY-9,19-CYCLOLANOSTAN-3-YL 2-O-.BETA.-D-GLUCOPYRANOSYL-

Systematic Name

English

Code System Code Type Description

CAS

84687-42-3

Created by admin on Sat Dec 16 11:20:05 UTC 2023 , Edited by admin on Sat Dec 16 11:20:05 UTC 2023

PRIMARY

EPA CompTox

DTXSID40331663

Created by admin on Sat Dec 16 11:20:05 UTC 2023 , Edited by admin on Sat Dec 16 11:20:05 UTC 2023

PRIMARY

FDA UNII

WVP53009FC

Created by admin on Sat Dec 16 11:20:05 UTC 2023 , Edited by admin on Sat Dec 16 11:20:05 UTC 2023

PRIMARY

PUBCHEM

441905

Created by admin on Sat Dec 16 11:20:05 UTC 2023 , Edited by admin on Sat Dec 16 11:20:05 UTC 2023

PRIMARY

Related Record Type Details


					922OP8YUPF

ASTRAGALUS MONGHOLICUS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Qualification:

USP

Amount: