(2R,3R,4R,6R)-3-(acetyloxy)-2-methyl-6-[(1S,2R,7R,9S,10S,11R)-2,7,9,11,13-pentahydroxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-4,12,14,16-tetraen-14-yl]oxan-4-yl (2E,4E,6E,8E)-9-[(8-chloro-4,7-dihydroxy-2-oxo-2H-chromen-3-yl)carbamoyl]nona-2,4,6,8-tetraenoate | C46H42ClNO18 | MFCD28899076 | C[C@H]1O[C@H](C[C@@H](OC(=O)\C=C\C=C\C=C\C=C\C(=O)NC2=C(O)C3=CC=C(O)C(Cl)=C3OC2=O)[C@@H]1OC(C)=O)C1=CC=C2C(=O)[C@@]34O[C@@]3([C@@H](O)C[C@]3(O)CC(C)=CC(=O)[C@]43O)[C@H](O)C2=C1O | AA00C4DN, AF65447, AG00C4GF, AN65447, AR00C55F, HY-125117, TN8012, Y1343159 | Chemspace

Warning!
Your browser does not support JavaScript or JavaScript support is disabled.
Display of the content may be incorrect. Please make sure that JavaScript is enabled in your browser. Warning!
Apparently you are using proxy server to access this site.
It means that display of the content may be incorrect.

Warning!
Your browser does not support HTML5.
Display of the content may be incorrect. Please make sure that your browser supports HTML5 syntax.

Home CSSB06722365840

Structure Info

Chemspace ID: CSSB06722365840 (In-Stock Building Blocks)

MFCD: MFCD28899076

IUPAC Name: (2R,3R,4R,6R)-3-(acetyloxy)-2-methyl-6-[(1S,2R,7R,9S,10S,11R)-2,7,9,11,13-pentahydroxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-4,12,14,16-tetraen-14-yl]oxan-4-yl (2E,4E,6E,8E)-9-[(8-chloro-4,7-dihydroxy-2-oxo-2H-chromen-3-yl)carbamoyl]nona-2,4,6,8-tetraenoate

Mol formula: C₄₆H₄₂ClNO₁₈

Mol weight: 932 Da

Catalog Number(s): AA00C4DN, AF65447, AG00C4GF, AN65447, AR00C55F, HY-125117, TN8012, Y1343159

Copy structure to query editor
SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 1.49

Heavy atoms count: 66

Rotatable bond count: 11

Number of rings: 8

Carbon bond saturation, Fsp3: 0.347

Polar surface area (Å): 306

Hydrogen bond acceptors count: 15

Hydrogen bond donors count: 8

: Zoom the structure; CSSB06722365840

Items Overall 3 items from 3 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Angene International Limited	5 days	China To:	97	1 mg	328	Go to cart Enquire
Description: Simocyclinone D8; CAS: 301845-97-6
AA BLOCKS	12 days	United States To:	90	1 mg	260	Go to cart Enquire
Description: simocyclinone D8; CAS: 301845-97-6
A2B Chem	12 days	United States To:	90	1 mg	281	Go to cart Enquire
Description: Simocyclinone D8; CAS: 301845-97-6

For a custom pack size or bulk
please drop us a line:Enquire