CAS 15455-81-9 Cholesterol Heptyl Carbonate, GR

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Liquid Crystal (LC) Materials

Cholesterol Heptyl Carbonate, GR

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Catalog Number

ACM15455819-1

Product Name

Cholesterol Heptyl Carbonate, GR

Structure

CAS

15455-81-9

Category

Liquid Crystal (LC) Materials

IUPAC Name

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptyl carbonate

Molecular Weight

528.8g/mol

Molecular Formula

C35H60O3

Canonical SMILES

CCCCCCCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

InChI

InChI=1S/C35H60O3/c1-7-8-9-10-11-23-37-33(36)38-28-19-21-34(5)27(24-28)15-16-29-31-18-17-30(26(4)14-12-13-25(2)3)35(31,6)22-20-32(29)34/h15,25-26,28-32H,7-14,16-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1

InChI Key

VVEXXPUMMZEWSU-SJTWHRLHSA-N

Complexity

801

Covalently-Bonded Unit Count

Exact Mass

528.454246g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

528.454246g/mol

Rotatable Bond Count