NICOTABACOSIDE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H32O7
Molecular Weight	384.4639
Optical Activity	( - )
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC3=C1C[C@@H](CC3)C(C)=C

InChI

InChIKey=VPJKRQCKSFZFOG-SIACNURVSA-N

InChI=1S/C20H32O7/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/h10-11,14-25H,1,4-8H2,2-3H3/t10-,11+,14+,15+,16+,17-,18+,19+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H32O7
Molecular Weight	384.4639
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 `Mon Mar 31 23:39:43 GMT 2025` Edited by `admin` on `Mon Mar 31 23:39:43 GMT 2025`
Record UNII	HYN2Q4SY6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDE, (1S,2R,3R,7R)-1,2,3,4,5,6,7,8-OCTAHYDRO-3-HYDROXY-1-METHYL-7-(1-METHYLETHENYL)-2-NAPHTHALENYL

Preferred Name

English

NICOTABACOSIDE B

Common Name

English

Code System Code Type Description

FDA UNII

HYN2Q4SY6U

Created by admin on Mon Mar 31 23:39:43 GMT 2025 , Edited by admin on Mon Mar 31 23:39:43 GMT 2025

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CAS

1702365-63-6

Created by admin on Mon Mar 31 23:39:43 GMT 2025 , Edited by admin on Mon Mar 31 23:39:43 GMT 2025

PRIMARY

PUBCHEM

162368385

Created by admin on Mon Mar 31 23:39:43 GMT 2025 , Edited by admin on Mon Mar 31 23:39:43 GMT 2025

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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.

Amount: