OXO-.ALPHA.-IONOL GLUCOSIDE, (6R,9S)-3-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H30O7
Molecular Weight	370.4373
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of OXO-.ALPHA.-IONOL GLUCOSIDE, (6R,9S)-3-

Structure Search

SMILES

C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@H]2C(C)=CC(=O)CC2(C)C

InChI

InChIKey=SZOPSAFLRCYJCX-RBOSQNBPSA-N

InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H30O7
Molecular Weight	370.4373
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:21:11 GMT 2023` Edited by `admin` on `Sat Dec 16 18:21:11 GMT 2023`
Record UNII	3EEC4Q65S4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OXO-.ALPHA.-IONOL GLUCOSIDE, (6R,9S)-3-

Common Name

English

(4R)-4-((1E,3S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-BUTEN-1-YL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE

Systematic Name

English

(6R,9S)-3-OXO-.ALPHA.-IONOL .BETA.-D-GLUCOPYRANOSIDE

Common Name

English

2-CYCLOHEXEN-1-ONE, 4-((1E,3S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-BUTEN-1-YL)-3,5,5-TRIMETHYL-, (4R)-

Systematic Name

English

(6R,7E,9S)-9-HYDROXYMEGASTIGMA-4,7-DIEN-3-ONE 9-O-.BETA.-D-GLUCOPYRANOSIDE

Common Name

English

(6R,9S)-3-OXO-.ALPHA.-IONOL.BETA.-DGLUCOPYRANOSIDE

Common Name

English

Code System Code Type Description

CAS

159813-37-3

Created by admin on Sat Dec 16 18:21:11 GMT 2023 , Edited by admin on Sat Dec 16 18:21:11 GMT 2023

PRIMARY

FDA UNII

3EEC4Q65S4

Created by admin on Sat Dec 16 18:21:11 GMT 2023 , Edited by admin on Sat Dec 16 18:21:11 GMT 2023

PRIMARY

PUBCHEM

21630888

Created by admin on Sat Dec 16 18:21:11 GMT 2023 , Edited by admin on Sat Dec 16 18:21:11 GMT 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: