ACTINIDIOIONOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H34O9
Molecular Weight	406.4679
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

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@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O

InChI

InChIKey=XZRJEYQBLXDNNU-UWAGUHGBSA-N

InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H34O9
Molecular Weight	406.4679
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:27:45 UTC 2023` Edited by `admin` on `Sat Dec 16 11:27:45 UTC 2023`
Record UNII	1Z3J5831FI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACTINIDIOIONOSIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (1R,2E)-1-METHYL-3-((1R,2R,4S)-1,2,4-TRIHYDROXY-2,6,6-TRIMETHYLCYCLOHEXYL)-2-PROPENYL

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (1R,2E)-1-METHYL-3-((1R,2R,4S)-1,2,4-TRIHYDROXY-2,6,6-TRIMETHYLCYCLOHEXYL)-2-PROPEN-1-YL

Systematic Name

English

Code System Code Type Description

FDA UNII

1Z3J5831FI

Created by admin on Sat Dec 16 11:27:45 UTC 2023 , Edited by admin on Sat Dec 16 11:27:45 UTC 2023

PRIMARY

PUBCHEM

91827066

Created by admin on Sat Dec 16 11:27:45 UTC 2023 , Edited by admin on Sat Dec 16 11:27:45 UTC 2023

PRIMARY

CAS

540528-05-0

Created by admin on Sat Dec 16 11:27:45 UTC 2023 , Edited by admin on Sat Dec 16 11:27:45 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.