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16-epi-Latrunculin B

CAT: 0498-bs-75035CSize: 100 µgDry Ice: NoHazardous: No
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CAT#:0498-bs-75035CSize:100 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
444911-05-1
Conjugation
Unconjugated
Purity
>95% (HPLC)
Buffer
Film
Solubility
Soluble in DMSO or ethanol.
Smiles
[H][C@@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1
Molecular Formula
C20H29NO5S
Molecular Weight
395.5
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
Colorless viscous film.

Chemical Information

16-Epi-Latrunculin B
CAS Number444911-05-1
PubChem CID10000783
IUPAC Name(4S)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one
Molecular FormulaC20H29NO5S
Molecular Weight395.5
XLogP2.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity634
SMILES
C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C1)/C
InChI
InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17-,20-/m1/s1
InChIKey
NSHPHXHGRHSMIK-WAXGXQFOSA-N
Chemical Structure
2D Structure
2D structure of 16-Epi-Latrunculin B
CAS: 444911-05-1
CID: 10000783
Formula: C20H29NO5S
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass395.17664420
Monoisotopic Mass395.17664420
Topological Polar Surface Area110 Ų
Heavy Atom Count27
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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