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Dihydrocytochalasin B

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Name

Dihydrocytochalasin B

EINECS 254-324-4
CAS No. 39156-67-7 Density 1.19 g/cm3
PSA 95.86000 LogP 4.04490
Solubility N/A Melting Point 203-205 °C
Formula C29H39NO5 Boiling Point 727.5 °C at 760 mmHg
Molecular Weight 481.632 Flash Point 393.8 °C
Transport Information UN 2811 Appearance N/A
Safety 22-36/37/39-45 Risk Codes 26/27/28-40
Molecular Structure Molecular Structure of 39156-67-7 (Dihydrocytochalasin B) Hazard Symbols VeryT+,ToxicT
Synonyms

7(S),20(R)-Dihydroxy-16(R)-methyl-10-phenyl-24-oxa(14)cytochalasa-6(12),13(E)-diene-1,23-dione;

Article Data 3

Dihydrocytochalasin B Specification

The CAS registry number of Dihydrocytochalasin B is 39156-67-7. It belongs to the product categories of Actin Inhibitors and Probes; Cell Signaling and Neuroscience; Cytoskeleton and Extracellular Matrix. This chemical is also named as 7(S),20(R)-Dihydroxy-16(R)-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13(E)-diene-1,23-dione. Its EINECS registry number is 254-324-4. In addition, its molecular formula is C29H39NO5 and molecular weight is 481.62. Its systematic name and IUPAC name are the same which is called 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione.

Physical properties about Dihydrocytochalasin B are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 342.7; (6)ACD/BCF (pH 7.4): 342.7; (7)ACD/KOC (pH 5.5): 2270.39; (8)ACD/KOC (pH 7.4): 2270.39; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 135.12 cm3; (14)Molar Volume: 403.4 cm3; (15)Surface Tension: 52.2 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 393.8 °C; (18)Enthalpy of Vaporization: 111.49 kJ/mol; (19)Boiling Point: 727.5 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical at very low levels can cause damage to health. It is very toxic by inhalation, in contact with skin and if swallowed. It Limits evidence of a carcinogenic effect. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. Finally, do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4NC(Cc1ccccc1)C3C42OC(=O)CCC(O)CCCC(C)CC=CC2C(O)C(=C)/C3C
(2)InChI: InChI=1/C29H39NO5/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/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)
(3)InChIKey: WIULKAASLBZREV-UHFFFAOYAH

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