NICOTIADITERPENE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H36O4
Molecular Weight	340.4974
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](CCC(C)=O)\C=C\[C@](C)(O)C[C@@H](O)\C=C(/C)CCCO

InChI

InChIKey=VRYMYLAUIROARJ-RKCAUDIISA-N

InChI=1S/C20H36O4/c1-15(2)18(9-8-17(4)22)10-11-20(5,24)14-19(23)13-16(3)7-6-12-21/h10-11,13,15,18-19,21,23-24H,6-9,12,14H2,1-5H3/b11-10+,16-13+/t18-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H36O4
Molecular Weight	340.4974
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:09:43 GMT 2023` Edited by `admin` on `Sat Dec 16 15:09:43 GMT 2023`
Record UNII	573N38ETH1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NICOTIADITERPENE A

Common Name

English

6,11-PENTADECADIEN-2-ONE, 8,10,15-TRIHYDROXY-8,12-DIMETHYL-5-(1-METHYLETHYL)-, (5S,6E,8R,10R,11E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

573N38ETH1

Created by admin on Sat Dec 16 15:09:43 GMT 2023 , Edited by admin on Sat Dec 16 15:09:43 GMT 2023

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PUBCHEM

135390797

Created by admin on Sat Dec 16 15:09:43 GMT 2023 , Edited by admin on Sat Dec 16 15:09:43 GMT 2023

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CAS

1843223-05-1

Created by admin on Sat Dec 16 15:09:43 GMT 2023 , Edited by admin on Sat Dec 16 15:09:43 GMT 2023

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