LANATOSIDE E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H76O21
Molecular Weight	1013.1258
Optical Activity	UNSPECIFIED
Defined Stereocenters	26 / 26
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([C@H](C[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@]5([H])C[C@H](O)[C@H](O[C@@]6([H])C[C@H](O)[C@H](O[C@@]7([H])C[C@H](OC(C)=O)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)OC=O)C9=CC(=O)OC9

InChI

InChIKey=YMKWEJBJAVBYHU-SBTGRVASSA-N

InChI=1S/C50H76O21/c1-22-44(69-38-16-32(55)45(23(2)64-38)70-39-17-33(66-25(4)53)46(24(3)65-39)71-47-43(59)42(58)41(57)35(19-51)68-47)31(54)15-37(63-22)67-28-9-11-48(5)27(14-28)7-8-30-29(48)10-12-49(6)40(26-13-36(56)61-20-26)34(62-21-52)18-50(30,49)60/h13,21-24,27-35,37-47,51,54-55,57-60H,7-12,14-20H2,1-6H3/t22-,23-,24-,27-,28+,29+,30-,31+,32+,33+,34+,35-,37+,38+,39+,40+,41-,42+,43-,44-,45-,46-,47+,48+,49-,50+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C50H76O21
Molecular Weight	1013.1258
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	26 / 26
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:28:55 GMT 2023` Edited by `admin` on `Sat Dec 16 08:28:55 GMT 2023`
Record UNII	IA1T4AD43K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LANATOSIDE E

Common Name

English

CARD-20(22)-ENOLIDE, 16-(FORMYLOXY)-3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-O-3-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BET

Common Name

English

Code System Code Type Description

FDA UNII

IA1T4AD43K

Created by admin on Sat Dec 16 08:28:55 GMT 2023 , Edited by admin on Sat Dec 16 08:28:55 GMT 2023

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CAS

20460-30-4

Created by admin on Sat Dec 16 08:28:55 GMT 2023 , Edited by admin on Sat Dec 16 08:28:55 GMT 2023

PRIMARY

PUBCHEM

15560068

Created by admin on Sat Dec 16 08:28:55 GMT 2023 , Edited by admin on Sat Dec 16 08:28:55 GMT 2023

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EPA CompTox

DTXSID50109813

Created by admin on Sat Dec 16 08:28:55 GMT 2023 , Edited by admin on Sat Dec 16 08:28:55 GMT 2023

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