Cholesteryl coumarin-3-carboxylate

Catalog Number

ACM196091788-1

CAS

196091-78-8

Structure

Synonyms

3-CCA-Cl

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]2-oxochromene-3-carboxylate

Molecular Weight

558.79

Molecular Formula

C37H50O4

Canonical SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC6=CC=CC=C6OC5=O)C)C

InChI

InChI=1S/C37H50O4/c1-23(2)9-8-10-24(3)30-15-16-31-28-14-13-26-22-27(17-19-36(26,4)32(28)18-20-37(30,31)5)40-34(38)29-21-25-11-6-7-12-33(25)41-35(29)39/h6-7,11-13,21,23-24,27-28,30-32H,8-10,14-20,22H2,1-5H3/t24-,27+,28+,30-,31+,32+,36+,37-/m1/s1

InChI Key

MDZIAODARIKFKN-HOSVHEHOSA-N

Purity

95%+

Appearance

Solid

Storage

Stored at +4 °C

Emission Maximum

420 nm

Excitation Maximum

297 nm

• Catalog Number: ACM196091788-1
• CAS: 196091-78-8
• Synonyms: 3-CCA-Cl
• 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]2-oxochromene-3-carboxylate
• Molecular Weight: 558.79
• Molecular Formula: C37H50O4
• Canonical SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC6=CC=CC=C6OC5=O)C)C
• InChI: InChI=1S/C37H50O4/c1-23(2)9-8-10-24(3)30-15-16-31-28-14-13-26-22-27(17-19-36(26,4)32(28)18-20-37(30,31)5)40-34(38)29-21-25-11-6-7-12-33(25)41-35(29)39/h6-7,11-13,21,23-24,27-28,30-32H,8-10,14-20,22H2,1-5H3/t24-,27+,28+,30-,31+,32+,36+,37-/m1/s1
• InChI Key: MDZIAODARIKFKN-HOSVHEHOSA-N
• Purity: 95%+
• Appearance: Solid
• Storage: Stored at +4 °C
• Emission Maximum: 420 nm
• Excitation Maximum: 297 nm