MYOSCORPINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H31NO6
Molecular Weight	381.464
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C/C(/[H])=C(\C)/C(=O)O[C@]1([H])CCN2CC=C(COC(=O)[C@](C(C)C)([C@@]([H])(C)O)O)[C@]12[H]

InChI

InChIKey=MVWPTZQHBOWRTF-MVEITQORSA-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+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H31NO6
Molecular Weight	381.464
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 Jun 26 07:48:17 UTC 2021` Edited by `admin` on `Sat Jun 26 07:48:17 UTC 2021`
Record UNII	755V48P1HV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MYOSCORPINE

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.(E),7(2S*,3R*),7A.BETA.))-

Systematic Name

English

7-TIGLOYLINTERMEDINE

Common Name

English

Code System Code Type Description

CAS

82535-76-0

Created by admin on Sat Jun 26 07:48:17 UTC 2021 , Edited by admin on Sat Jun 26 07:48:17 UTC 2021

PRIMARY

EPA CompTox

82535-76-0

Created by admin on Sat Jun 26 07:48:17 UTC 2021 , Edited by admin on Sat Jun 26 07:48:17 UTC 2021

PRIMARY

FDA UNII

755V48P1HV

Created by admin on Sat Jun 26 07:48:17 UTC 2021 , Edited by admin on Sat Jun 26 07:48:17 UTC 2021

PRIMARY

PUBCHEM

6440700

Created by admin on Sat Jun 26 07:48:17 UTC 2021 , Edited by admin on Sat Jun 26 07:48:17 UTC 2021

PRIMARY

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