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(1S,17S)-3,7,9,21-Tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0~2,15~.0~4,13~.0~6,11~.0~19,24~]pentacosa-2(15),3,6,8,10,13,19,21,23-nonaen-5-one | CAS No. 149466-04-6

(1S,17S)-3,7,9,21-Tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0~2,15~.0~4,13~.0~6,11~.0~19,24~]pentacosa-2(15),3,6,8,10,13,19,21,23-nonaen-5-one

Basic Information

Chemical_Structure_Of

CAS Number

149466-04-6

Molecular Formula

C27H24O7

Molecular Weight

460.48 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 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

Boiling Point

676.8±55.0 °C(Predicted)

Density

1.444±0.06 g/cm3(Predicted)

Solubility

Dichloromethane: soluble,DMSO: soluble,Ethanol: soluble,Methanol: soluble

SMILES

Cc1cc(cc2c1[C@@H]3c4c(cc5c(c4O)C(=O)c6c(cc(cc6O)O)C5(C)C)C[C@](O2)(O3)C)O

InChI

InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25-,27-/m1/s1

InChIKey

MDUGEFRGUDVHQH-XNMGPUDCSA-N

LogP

4.458420000000005

pKa

6.79±0.60(Predicted)

Topological Polar Surface Area

116.45000000000002 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Synonyms & References

English

BE 24566B
6,16-Epoxy-14H-anthra[2,3-d][1]benzoxocin-14-one, 6,7,9,16-tetrahydro-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-, (6S,16S)-
6,16-Epoxy-14H-anthra[2,3-d][1]benzoxocin-14-one,6,7,9,16-tetrahydro-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl- (9CI)
AntibioticBE 24566B
L 755805

Related Compounds

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

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 structure

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 structure

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

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

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

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 structure

(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 structure

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

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 149466-04-6

Biosynth

CAS Number: 149466-04-6