F-GITONIN DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H82O23.2H2O
Molecular Weight	1087.2028
Optical Activity	UNSPECIFIED
Defined Stereocenters	32 / 32
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O[C@]1%10CC[C@@H](C)CO%10

InChI

InChIKey=YCJJMEUDHRLEJV-VCMNKKPISA-N

InChI=1S/C50H82O23.2H2O/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44;;/h19-47,51-63H,5-18H2,1-4H3;2*1H2/t19-,20+,21+,22-,23+,24+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49+,50-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C50H82O23
Molecular Weight	1051.1723
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	32 / 32
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:00:10 GMT 2025` Edited by `admin` on `Mon Mar 31 22:00:10 GMT 2025`
Record UNII	8SN3F0Z71C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

F-GITONIN DIHYDRATE

Common Name

English

F-GITONIN DIHYDRATE [MI]

Preferred Name

English

(2.ALPHA.,3.BETA.,5.ALPHA.,25R)-2-HYDROXYSPIROSTAN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-XYLOPYRANOSYL-(1->3))-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-GALACTOPYRANOSIDE, DIHYDRATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

91618032

Created by admin on Mon Mar 31 22:00:10 GMT 2025 , Edited by admin on Mon Mar 31 22:00:10 GMT 2025

PRIMARY

MERCK INDEX

m5737

Created by admin on Mon Mar 31 22:00:10 GMT 2025 , Edited by admin on Mon Mar 31 22:00:10 GMT 2025

PRIMARY

Merck Index

FDA UNII

8SN3F0Z71C

Created by admin on Mon Mar 31 22:00:10 GMT 2025 , Edited by admin on Mon Mar 31 22:00:10 GMT 2025

PRIMARY

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