SYMLANDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H31NO6
Molecular Weight	381.4632
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@H](C)O)OC(=O)C(\C)=C/C

InChI

InChIKey=MVWPTZQHBOWRTF-QKJMJVMDSA-N

InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16+,17+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H31NO6
Molecular Weight	381.4632
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:07:40 GMT 2023` Edited by `admin` on `Sat Dec 16 19:07:40 GMT 2023`
Record UNII	JR8P4EW45U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SYMLANDINE

Common Name

English

7-ANGELYL-9-VIRIDIFLORYLRETRONECINE

Common Name

English

2-BUTENOIC ACID, 2-METHYL-, 7-((2,3-DIHYDROXY-2-(1-METHYLETHYL)-1-OXOBUTOXY)METHYL)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-1-YL ESTER, (1R-(1.ALPHA.(Z),7(2S*,3S*),7A.BETA.))-

Systematic Name

English

Code System Code Type Description

CAS

74410-74-5

Created by admin on Sat Dec 16 19:07:40 GMT 2023 , Edited by admin on Sat Dec 16 19:07:40 GMT 2023

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EPA CompTox

DTXSID10225409

Created by admin on Sat Dec 16 19:07:40 GMT 2023 , Edited by admin on Sat Dec 16 19:07:40 GMT 2023

PRIMARY

PUBCHEM

5281753

Created by admin on Sat Dec 16 19:07:40 GMT 2023 , Edited by admin on Sat Dec 16 19:07:40 GMT 2023

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FDA UNII

JR8P4EW45U

Created by admin on Sat Dec 16 19:07:40 GMT 2023 , Edited by admin on Sat Dec 16 19:07:40 GMT 2023

PRIMARY

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