MONTECRISTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H66O4
Molecular Weight	574.9175
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCC\C=C/CC\C=C/CC[C@@H](O)[C@H](O)CCCCCCCCCCC1=C[C@H](C)OC1=O

InChI

InChIKey=ULFROYYCMRNCTL-HAVKIKKTSA-N

InChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-/t33-,35+,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H66O4
Molecular Weight	574.9175
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:12:13 GMT 2025` Edited by `admin` on `Wed Apr 02 07:12:13 GMT 2025`
Record UNII	Z3XN3BBU7C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONTECRISTIN

Common Name

English

(+)-MONTECRISTIN

Preferred Name

English

(5S)-3-((11R,12R,15Z,19Z)-11,12-DIHYDROXY-15,19-DOTRIACONTADIEN-1-YL)-5-METHYL-2(5H)-FURANONE

Systematic Name

English

(2R)-4-((11S,12R)-11,12-BIS(OXIDANYL)DOTRIACONTA-15,19-DIENYL)-2-METHYL-2H-FURAN-5-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

Z3XN3BBU7C

Created by admin on Wed Apr 02 07:12:13 GMT 2025 , Edited by admin on Wed Apr 02 07:12:13 GMT 2025

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EPA CompTox

DTXSID001118913

Created by admin on Wed Apr 02 07:12:13 GMT 2025 , Edited by admin on Wed Apr 02 07:12:13 GMT 2025

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CAS

185336-15-6

Created by admin on Wed Apr 02 07:12:13 GMT 2025 , Edited by admin on Wed Apr 02 07:12:13 GMT 2025

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PUBCHEM

102083640

Created by admin on Wed Apr 02 07:12:13 GMT 2025 , Edited by admin on Wed Apr 02 07:12:13 GMT 2025

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