MYOSCORPINE

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-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	381.4632
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 `Fri Dec 15 19:10:27 GMT 2023` Edited by `admin` on `Fri Dec 15 19:10:27 GMT 2023`
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 Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023

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EPA CompTox

DTXSID00231837

Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023

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FDA UNII

755V48P1HV

Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023

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PUBCHEM

6440700

Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023

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