CNICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26O7
Molecular Weight	378.4162
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)[C@@H](O)CO

InChI

InChIKey=ZTDFZLVUIVPZDU-QGNHJMHWSA-N

InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H26O7
Molecular Weight	378.4162
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:53:12 GMT 2025` Edited by `admin` on `Mon Mar 31 19:53:12 GMT 2025`
Record UNII	C998MWY30L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R)-3,4-DIHYDROXY-2-METHYLENEBUTANOIC ACID (3AR,4S,6E,10Z,11AR)-2,3,3A,4,5,8,9,11A-OCTAHYDRO-10-(HYDROXYMETHYL)-6-METHYL-3-METHYLENE-2-OXOCYCLODECA(B)FURAN-4-YL ESTER

Preferred Name

English

CNICIN

Common Name

English

CNICIN [MI]

Common Name

English

CENTAURIN

Common Name

English

(Z,E)-6.ALPHA.,8.ALPHA.,15-TRIHYDROXYGERMACRA-1(10),4,11(13)-TRIEN-12-OIC ACID 12,6-LACTONE 8-(3,4-DIHYDROXY-2-METHYLENEBUTYRATE)

Common Name

English

CYNISIN

Common Name

English

Code System Code Type Description

MERCK INDEX

m3678