NICOTABACOSIDE F

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H30O8
Molecular Weight	398.4474
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]3(O[C@@H]1[C@@H](C)[C@]2(O)C[C@@H](CCC2=CC1=O)C(C)=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=FKVDADWHDHZEES-PLGKXUILSA-N

InChI=1S/C20H30O8/c1-9(2)11-4-5-12-6-13(22)18(10(3)20(12,26)7-11)28-19-17(25)16(24)15(23)14(8-21)27-19/h6,10-11,14-19,21,23-26H,1,4-5,7-8H2,2-3H3/t10-,11-,14-,15-,16+,17-,18-,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H30O8
Molecular Weight	398.4474
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:08:48 UTC 2023` Edited by `admin` on `Sat Dec 16 11:08:48 UTC 2023`
Record UNII	W77Q42118G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NICOTABACOSIDE F

Common Name

English

2(3H)-NAPHTHALENONE, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,4A,5,6,7,8-HEXAHYDRO-4A-HYDROXY-4-METHYL-6-(1-METHYLETHENYL)-, (3R,4R,4AR,6R)-

Systematic Name

English

Code System Code Type Description

CAS

1702365-67-0

Created by admin on Sat Dec 16 11:08:48 UTC 2023 , Edited by admin on Sat Dec 16 11:08:48 UTC 2023

PRIMARY

PUBCHEM

91826838

Created by admin on Sat Dec 16 11:08:48 UTC 2023 , Edited by admin on Sat Dec 16 11:08:48 UTC 2023

PRIMARY

FDA UNII

W77Q42118G

Created by admin on Sat Dec 16 11:08:48 UTC 2023 , Edited by admin on Sat Dec 16 11:08:48 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.