NICOTABACOSIDE D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H30O7
Molecular Weight	382.448
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]1C=C2CC[C@H](C=C2[C@H](C)[C@H]1O)C(C)=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=IGTDRTJURKLVPF-GXGCKDLESA-N

InChI=1S/C20H30O7/c1-9(2)11-4-5-12-7-14(16(22)10(3)13(12)6-11)26-20-19(25)18(24)17(23)15(8-21)27-20/h6-7,10-11,14-25H,1,4-5,8H2,2-3H3/t10-,11+,14+,15+,16+,17+,18-,19+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H30O7
Molecular Weight	382.448
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 11:08:50 UTC 2023` Edited by `admin` on `Sat Dec 16 11:08:50 UTC 2023`
Record UNII	DD87848A54
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NICOTABACOSIDE D

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

DD87848A54

Created by admin on Sat Dec 16 11:08:50 UTC 2023 , Edited by admin on Sat Dec 16 11:08:50 UTC 2023

PRIMARY

PUBCHEM

163203587

Created by admin on Sat Dec 16 11:08:50 UTC 2023 , Edited by admin on Sat Dec 16 11:08:50 UTC 2023

PRIMARY

CAS

1702365-65-8

Created by admin on Sat Dec 16 11:08:50 UTC 2023 , Edited by admin on Sat Dec 16 11:08:50 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.

Amount: