Pladienolide B

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Catalog Number ACM445493232
Product Name Pladienolide B
CAS Number 445493-23-2
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
Synonyms Pla-B
Molecular Weight 536.70
Molecular Formula C30H48O8
Canonical 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
Boiling Point 673.8 °C at 760 mmHg (Predicted)
Flash Point 209.6±25.0 °C
Density 1.1±0.1 g/ml
Refractive Index 1.53 (Predicted)

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