EQUISETIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31NO4
Molecular Weight	373.4858
Optical Activity	( - )
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)([C@H](\C=C\C)C=C2)C(\O)=C3\C(=O)[C@H](CO)N(C)C3=O

InChI

InChIKey=QNQBPPQLRODXET-AIMHRHHOSA-N

InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14-,15-,16-,17+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H31NO4
Molecular Weight	373.4858
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:29 UTC 2023` Edited by `admin` on `Fri Dec 15 19:50:29 UTC 2023`
Record UNII	V56ZMM5VMZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EQUISETIN

Common Name

English

(-)-Equisetin

Common Name

English

2,4-Pyrrolidinedione, 5-(hydroxymethyl)-3-[hydroxy[(1S,2R,4aS,6R,8aR)-1,2,4a,5,6,7,8,8a-octahydro-1,6-dimethyl-2-(1E)-1-propen-1-yl-1-naphthalenyl]methylene]-1-methyl-, (3E,5S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

V56ZMM5VMZ