ROSMARININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H27NO6
Molecular Weight	353.4101
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCN3C[C@@H](O)[C@]([H])(COC(=O)[C@](C)(O)[C@H](C)C\C(=C\C)C(=O)O1)[C@]23[H]

InChI

InChIKey=YEXVXKIMPBHRQR-VFQWDWSUSA-N

InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12+,13-,14-,15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H27NO6
Molecular Weight	353.4101
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:47:07 GMT 2023` Edited by `admin` on `Sat Dec 16 18:47:07 GMT 2023`
Record UNII	NF2N9W4Q5V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROSMARININE

Common Name

English

NSC-125830

Code

English

Code System Code Type Description

EPA CompTox

DTXSID701019956