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Pladienolide B

CAT: 0024-sc-391691ESize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-391691ESize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
445493-23-2

Chemical Information

(4R,7R,8S,9E,11S,12S)-8-(Acetyloxy)-4,7-dihydroxy-12-((1E,3E,5S)-6-((2R,3R)-3-((1R,2S)-2-hydroxy-1-methylbutyl)-2-oxiranyl)-1,5-dimethyl-1,3-hexadien-1-yl)-7,11-dimethyloxacyclododec-9-en-2-one
CAS Number445493-23-2
PubChem CID16202130
IUPAC Name[(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
Molecular FormulaC30H48O8
Molecular Weight536.7
XLogP4.2
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity879
SMILES
CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O
InChI
InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1
InChIKey
SDOUORKJIJYJNW-QHOUZYGJSA-N
Chemical Structure
2D Structure
2D structure of (4R,7R,8S,9E,11S,12S)-8-(Acetyloxy)-4,7-dihydroxy-12-((1E,3E,5S)-6-((2R,3R)-3-((1R,2S)-2-hydroxy-1-methylbutyl)-2-oxiranyl)-1,5-dimethyl-1,3-hexadien-1-yl)-7,11-dimethyloxacyclododec-9-en-2-one
CAS: 445493-23-2
CID: 16202130
Formula: C30H48O8
MW: 536.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.7
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass536.33491849
Monoisotopic Mass536.33491849
Topological Polar Surface Area126 Ų
Heavy Atom Count38
Formal Charge0
Complexity879
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N12655Pladienolide A
MBS385645-01Pladienolide B
A12699-0.5Pladienolide B 500ug
A12699-0.1Pladienolide B 100ug
A12699-2Pladienolide B 2mg
A12699-1Pladienolide B 1mg
6070/500UPladienolide B 500 µg

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