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Calyculin A from Discodermia calyx

SIGMA/21279 - ≥90% (HPLC)

CAS Number: 101932-71-2
Empirical Formula (Hill Notation): C50H81N4O15P
Molecular Weight: 1009.17
MDL Number: MFCD06795864
Linear Formula: C50H81N4O15P
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-21279-10UG 10 µg
 $316.00
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assay ≥90% (HPLC)
form solid
InChI 1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1
InChI key FKAWLXNLHHIHLA-YCBIHMBMSA-N
SMILES string COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(C=CC[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)OC([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=C(C)C(C)=CC=CC(C)=C/C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
storage temp. −20°C
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