2-Methylcyclohexanonhelveticosid

Name: 2-Methylcyclohexanonhelveticosid
Brand: CoreyChem
SKU: CAS:40279-44-5
Price: Contact for pricing USD
Availability: InStock

(3S,5S,10S,13R,14S,17R)-3-[(3aR,6R)-2',4-dimethylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-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: 2-Methylcyclohexanonhelveticosid|RefChem:1072680|AC1L1ZQ8|FG 203|2-Methylcyclohexanonhelveticosid [German]|5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(2-methylcyclohexylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-|(3S,5S,10S,13R,14S,17R)-3-[(3aR,6R)-2',4-dimethylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-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|3b-[[3-o,4-o-(2-methylcyclohexylidene)-2,6-dideoxy-beta-d-ribo-hexopyranosyl]oxy]-5,14-dihydroxy-19-oxo-5b-card-20(22)-enolide

CAS: 40279-44-5

Molecular Formula	`C36H52O9`
Molecular Weight	628.36115 g/mol
LogP	4.75
Topological Polar Surface Area	120.75 Å²
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	628.36115
Heavy Atoms	45
Complexity	1252.7

Chemical Identifiers

CAS Number	40279-44-5
SMILES	`CC1CCCCC12O[C@@H]3C(O[C@H](CC3O2)O[C@H]4CC[C@@]5(C6CC[C@@]7([C@H](CC[C@@]7(C6CC[C@@]5(C4)O)O)C8=CC(=O)OC8)C)C=O)C`

Product Overview

2-Methylcyclohexanonhelveticosid (CAS 40279-44-5), with molecular formula C36H52O9 and molecular weight 628.36115 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-3-[(3aR,6R)-2',4-dimethylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-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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