NICOTABACOSIDE E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O7
Molecular Weight	380.4321
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=C)[C@@H]1CCC2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)=C2C1

InChI

InChIKey=ZDGMFGHFUVIMSA-WWTRXJDBSA-N

InChI=1S/C20H28O7/c1-9(2)11-4-5-12-7-14(22)19(10(3)13(12)6-11)27-20-18(25)17(24)16(23)15(8-21)26-20/h7,11,15-18,20-25H,1,4-6,8H2,2-3H3/t11-,15-,16-,17+,18-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O7
Molecular Weight	380.4321
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:27:38 UTC 2023` Edited by `admin` on `Sat Dec 16 11:27:38 UTC 2023`
Record UNII	UL3NL03UOB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NICOTABACOSIDE E

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (7R)-5,6,7,8-TETRAHYDRO-3-HYDROXY-1-METHYL-7-(1-METHYLETHENYL)-2-NAPHTHALENYL

Systematic Name

English

Code System Code Type Description

FDA UNII

UL3NL03UOB

Created by admin on Sat Dec 16 11:27:38 UTC 2023 , Edited by admin on Sat Dec 16 11:27:38 UTC 2023

PRIMARY

PUBCHEM

91827146

Created by admin on Sat Dec 16 11:27:38 UTC 2023 , Edited by admin on Sat Dec 16 11:27:38 UTC 2023

PRIMARY

CAS

1702365-66-9

Created by admin on Sat Dec 16 11:27:38 UTC 2023 , Edited by admin on Sat Dec 16 11:27:38 UTC 2023

PRIMARY

Related Record Type Details


					6YR2608RSU

TOBACCO LEAF

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Compound was extracted from the dried leaves of N. tabacum (3.5 kg) with 90% EtOH at room temperature and partitioned between EtOAc and H2O.