(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

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Home CSCS06722365840

Structure Info

Chemspace ID: CSCS06722365840 (Synthesis)

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

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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; CSCS06722365840

Items Overall 5 items from 5 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Angene US	5 days	United States To:	97	1 mg	328	Go to cart Enquire
Description: Simocyclinone D8; CAS: 301845-97-6
APPCHEM Limited	14 days	China To:	97	1 mg	354	Go to cart Enquire
Description: Simocyclinone D8; CAS: 301845-97-6
MedChemExpress	TBD	United States To:	90	1 mg	POA	Go to cart Enquire
Description: Names: Simocyclinone D8; Product Description: Simocyclinone D8 is an anthracycline antibiotic with antibacterial and antitumor activity against Gram-positive bacteria. Simocyclinone D8 inhibits DNA gyrase and thus has an inhibitory effect on a variety of tumor cell lines .; Target: Antibiotic;Bacterial;DNA/RNA Synthesis; CAS: 301845-97-6
MedChemExpress EU	TBD	Sweden To:	90	1 mg	POA	Go to cart Enquire
Description: Names: Simocyclinone D8; Product Description: Simocyclinone D8 is an anthracycline antibiotic with antibacterial and antitumor activity against Gram-positive bacteria. Simocyclinone D8 inhibits DNA gyrase and thus has an inhibitory effect on a variety of tumor cell lines; Target: Antibiotic;Bacterial;DNA/RNA Synthesis; CAS: 301845-97-6
Targetmol Chemicals Inc	TBD	United States To:	90	1 mg	POA	Go to cart Enquire
Description: Simocyclinone D8 is an anthracycline antibiotic that exhibits antimicrobial activity against Gram-positive bacteria and has antitumor properties. Its mechanism of action involves inhibiting DNA gyrase (DNA gyrase), which in turn suppresses various tumor cell lines.; CAS: 301845-97-6

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