CAS 102492-19-3 | Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-, (3β,5β)- (9CI) | CAS Number 102492-19-3

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 102492-19-3

102492-19-3 | Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-, (3β,5β)- (9CI)

CAS No: 102492-19-3 Catalog No: AG0007KQ MDL No:

Product Description

Catalog Number:

AG0007KQ

Chemical Name:

Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-, (3β,5β)- (9CI)

CAS Number:

102492-19-3

Molecular Formula:

C29H44O8

Molecular Weight:

520.6549

IUPAC Name:

3-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

InChI:

InChI=1S/C29H44O8/c1-28-9-7-17(36-27-26(34)25(33)24(32)22(13-30)37-27)12-16(28)3-4-18-20-6-5-19(15-11-23(31)35-14-15)29(20,2)10-8-21(18)28/h11,16-22,24-27,30,32-34H,3-10,12-14H2,1-2H3/t16-,17+,18+,19-,20+,21+,22-,24-,25+,26-,27-,28+,29-/m1/s1

InChI Key:

ZHVOBYWXERUHMN-KVJKMEBSSA-N

SMILES:

OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@@]3([C@H]2CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@H]1O)O)O

Properties

Complexity:

922

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

520.304g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

520.663g/mol

Monoisotopic Mass:

520.304g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
[Pharmacologic study of a semisynthetic digitalis derivative lacking the hydroxyl group on position 14 of the steroid nucleus].	Archivos del Instituto de Cardiologia de Mexico 19860101