Butyrophenonhelveticosid

Name: Butyrophenonhelveticosid
Brand: CoreyChem
SKU: CAS:35919-82-5
Price: Contact for pricing USD
Availability: InStock

(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-methyl-2-phenyl-2-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Also Known As: Butyrophenonhelveticosid|AC1L1XHI|RefChem:301349|Butyrophenonhelveticosid [German]|FG 274|5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-phenylbutylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-9-oxo-|(3r,5s,10s,13r,14s,17r)-3-[[(3ar,6r)-4-methyl-2-phenyl-2-propyl-4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde|(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-methyl-2-phenyl-2-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde|(8xi,9xi)-3beta-{[2,6-Dideoxy-3,4-O-(1-phenylbutylidene)-beta-D-glycero-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide|3-{[2,6-Dideoxy-3,4-O-(1-phenylbutylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

CAS: 35919-82-5

Molecular Formula	`C39H52O9`
Molecular Weight	664.36115 g/mol
LogP	5.49
Topological Polar Surface Area	120.75 Å²
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	664.36115
Heavy Atoms	48
Complexity	1447.8

Chemical Identifiers

CAS Number	35919-82-5
SMILES	`CCCC1(O[C@@H]2C(O[C@H](CC2O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)C)C8=CC=CC=C8`

Product Overview

Butyrophenonhelveticosid (CAS 35919-82-5), with molecular formula C39H52O9 and molecular weight 664.36115 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-methyl-2-phenyl-2-propyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.

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