7-ANGELYLHELIOTRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H33NO6
Molecular Weight	395.4898
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12

InChI

InChIKey=VCEBYLMAPKBSMV-DHTFDINKSA-N

InChI=1S/C21H33NO6/c1-7-14(4)19(23)28-17-9-11-22-10-8-16(18(17)22)12-27-20(24)21(25,13(2)3)15(5)26-6/h7-8,13,15,17-18,25H,9-12H2,1-6H3/b14-7-/t15-,17+,18-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H33NO6
Molecular Weight	395.4898
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 `Mon Mar 31 22:26:12 GMT 2025` Edited by `admin` on `Mon Mar 31 22:26:12 GMT 2025`
Record UNII	35B1173E6F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((7S,8R)-7-((Z)-2-METHYLBUT-2-ENOYL)OXY-5,6,7,8-TETRAHYDRO-3H-PYRROLIZIN-1-YL)METHYL (2S,3R)-2-HYDROXY-2-ISOPROPYL-3-METHOXY-BUTANOATE

Preferred Name

English

7-ANGELYLHELIOTRINE

Common Name

English

2-BUTENOIC ACID, 2-METHYL-, (1S,7AR)-2,3,5,7A-TETRAHYDRO-7-(((S)-2-HYDROXY-2-((1R)-1-METHOXYETHYL)-3-METHYL-1-OXOBUTOXY)METHYL)-1H-PYRROLIZIN-1-YL ESTER, (2Z)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

56317-17-0

Created by admin on Mon Mar 31 22:26:12 GMT 2025 , Edited by admin on Mon Mar 31 22:26:12 GMT 2025

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PUBCHEM

123133551

Created by admin on Mon Mar 31 22:26:12 GMT 2025 , Edited by admin on Mon Mar 31 22:26:12 GMT 2025

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FDA UNII

35B1173E6F

Created by admin on Mon Mar 31 22:26:12 GMT 2025 , Edited by admin on Mon Mar 31 22:26:12 GMT 2025

PRIMARY