Cytochalasin B

Basic Information

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CAS Number

14930-96-2

Molecular Formula

C29H37NO5

Molecular Weight

479.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Physical State

Powder

Melting Point

218-223 ºC

Boiling Point

740.6°C at 760 mmHg

Flash Point

85℃

Solubility

ethanol: 20 mg/mL

Refractive Index

1.6290 (estimate)

SMILES

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CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O

InChI

InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1

InChIKey

GBOGMAARMMDZGR-TYHYBEHESA-N

LogP

3.4921000000000015

Topological Polar Surface Area

95.86000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

859

Safety Information

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GHS Hazard Pictograms

H300

H310

H330

H361

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H310 Fatal in contact with skin
Acute toxicity, dermal

H330 Fatal if inhaled
Acute toxicity, inhalation

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

LMPK11000002
CHEBI:23527
Cytochalasin B (Phomin)
2H-OXACYCLOTETRADECINO(2,3-D)ISOINDOLE-2,18(5H)-DIONE, 6,7,8,9,10,12A,13,14,15,15A,16,17-DODECAHYDRO-5,13-DIHYDROXY-9,15-DIMETHYL-14-METHYLENE-16-(PHENYLMETHYL)-, (5R-(3E,5R*,9R*,11E,12AS*,13S*,15S*,15AS*,16S*,18AS*))-
(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione
CYTOCHALASIN B
CHEMBL411729
24-Oxa(14)cytochalasa-6(12),13,21-triene-1,23-dione, 7,20-dihydroxy-16-methyl-10-phenyl-, (7S,13E,16R,20R,21E)-
HSDB 3479
Cytochalasin B from Drechslera dematioidea
Opera_ID_1877
Spectrum5_001780
(3S,3aS,4S,6S,6aS,7E,10R,14R,15E,181S)-3-benzyl-6,14-dihydroxy-4,10-dimethyl-5-methylene-3,3a,4,5,6,6a,9,10,11,12,13,14-dodecahydro-1H-[1]oxacyclotetradeca[2,3-d]isoindole-1,17(2H)-dione
AKOS025311470
W-201323
C19954
7,20-Dihydroxy-10-phenyl-5,16-dimethyl-24-oxa-(14)cytochalas-6(12),13,21-trien-23-one
HMS1361P22
(4Z,12Z)-19-Benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione
NCGC00163439-01
CS-0012975
11032-95-4
2H-Oxacyclotetradecino(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-
3CHI920QS7
Phomin
NS00011654
(3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione
DTXSID30893482
HY-16928
2H-OXACYCLOTETRADECINO(2,3-D)ISOINDOLE-2,18(5H)-DIONE, 16-BENZYL-6,7,8,9,10,12A,13,14,15,15A,16,17-DODECAHYDRO-5,13-DIHYDROXY-9,15-DIMETHYL-14-METHYLENE-, (E,E)-(5R,9R,12AS,13S,15S,15AS,16S,18AS)-
BDBM50478403