[10-Formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]3-methylbut-2-enoate

Catalog Number

ACM67696826

Product Name

[10-Formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]3-methylbut-2-enoate

Structure

CAS

67696-82-6

Category

Heterocyclic Organic Compound

Synonyms

Acrihellin, Acrihelina, Acrihelline, Acrihellinum, Acrihelina [Spanish], Acrihellin [INN], Acrihelina [INN-Spanish], Acrihelline [INN-French], Acrihellinum [INN-Latin], EINECS 266-909-1, C29H38O7, CID49965, LS-45292, D 12316, 3-beta,5,14-Trihydroxy-19-oxo-5-beta-bufa-20,22-dienolide 3-(3-methylcrotonate), 5,14-Dihydroxy-19-oxo-5beta-bufa-20,22-dienolid-3beta-yl 3-methyl-2-butenoat, (3-beta,5-beta)-5,14-Dihydroxy-3-((3-methyl-1-oxo-2-butenyl)oxy)-19-oxobufa-20,22-dienolide, Bufa-20,22-dienolide, 5,14-dihydroxy-3-((3-methyl-1-oxo-2-butenyl)oxy)-19-oxo-, (3-beta,5-beta)-, 3 beta,5,14-trihydroxy-19-oxo-5 beta-bufa-20,22-dienolide-3-(3-methylcrotonate), 3beta,5,14-Trihydroxy-19-oxo-5beta-bufa-20,22-dienolide 3-(3-methylcrotonate)

IUPAC Name

[10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-methylbut-2-enoate

Molecular Weight

498.608 g/mol

Molecular Formula

C₂₉H₃₈O₇

Canonical SMILES

CC(=CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=COC(=O)C=C5)C)C=O)C

InChI Key

RIOSSPWEPWYRLD-UHFFFAOYSA-N

Boiling Point

655ºC at 760 mmHg

Flash Point

212.7ºC

Density

1.27g/cm³

EC Number

266-909-1

Exact Mass

498.26200

H-Bond Acceptor

7

H-Bond Donor

2

MSDS

COA

Spec Sheet