(4R,4aS,7aS,15R)-rel-2,3,4,7,8,13,15,17-octahydro-1,4,12,14,16-pentahydroxy-10-methyl-8,13,17-trioxo-4aH-7a,15-ethenonaphtho[2′,3′:4,5]cyclohepta[1,2-b]xanthene-4a-carboxylic acid, methyl ester

Basic Information

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CAS Number

151063-27-3

Molecular Formula

C31H24O11

Molecular Weight

572.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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COC(=O)[C@]12Oc3cc4C[C@@]56C=C[C@@H](c4c(c3C(=O)C2=C(CC[C@@H]1O)O)O)C(=C5C(=O)c1c(C6=O)cc(cc1O)C)O

InChI

InChI=1S/C31H24O11/c1-11-7-14-20(16(33)8-11)26(37)23-24(35)13-5-6-30(23,28(14)39)10-12-9-17-21(25(36)19(12)13)27(38)22-15(32)3-4-18(34)31(22,42-17)29(40)41-2/h5-9,13,18,32-36H,3-4,10H2,1-2H3/t13-,18-,30-,31-/m0/s1

InChIKey

QDYQTXMOZIGCQB-SLAVHBLRSA-N

LogP

2.947120000000001

Topological Polar Surface Area

187.89 Å²

Hydrogen Bond Donor/Acceptor

5 / 11

Synonyms & References

English

Xanthoquinodin A1

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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(4R,4aS,7aS,15R)-rel-2,3,4,7,8,13,15,17-octahydro-1,4,12,14,16-pentahydroxy-10-methyl-8,13,17-trioxo-4aH-7a,15-ethenonaphtho[2′,3′:4,5]cyclohepta[1,2-b]xanthene-4a-carboxylic acid, methyl ester | CAS No. 151063-27-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Synonyms & References

English

Related Compounds

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