KITOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C40H60O2
Molecular Weight	572.9032
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	5
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/[C@@]2(C)[C@H](CO)[C@H](CO)C(C)=C[C@@H]2\C=C(C)\C=C\C3=C(C)CCCC3(C)C

InChI

InChIKey=NTTHYVALAYBGDV-WHFXJCNXSA-N

InChI=1S/C40H60O2/c1-28(17-19-35-30(3)15-12-21-38(35,6)7)14-11-23-40(10)33(25-32(5)34(26-41)37(40)27-42)24-29(2)18-20-36-31(4)16-13-22-39(36,8)9/h11,14,17-20,23-25,33-34,37,41-42H,12-13,15-16,21-22,26-27H2,1-10H3/b19-17+,20-18+,23-11+,28-14+,29-24+/t33-,34+,37+,40+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H60O2
Molecular Weight	572.9032
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:49:35 GMT 2023` Edited by `admin` on `Sat Dec 16 09:49:35 GMT 2023`
Record UNII	111CFG4V2B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KITOL

Common Name

English

KITOL [MI]

Common Name

English

KITOL A

Common Name

English

3-CYCLOHEXENE-1,2-DIMETHANOL, 3,6-DIMETHYL-5-((1E,3E)-2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL)-6-((1E,3E,5E)-4-METHYL-6-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1,3,5-HEXATRIENYL)-, (1R,2S,5S,6R)-REL-

Systematic Name

English

Code System Code Type Description

CAS

4626-00-0