58546-34-2
CUCURBITACIN IIA
Name
CUCURBITACIN IIA
Formula
C32 H50 O8
MolWeight
562.739
1Identification
【Name】
CUCURBITACIN IIA
【CAS】
【MDL】
MFCD07781419
【English Synonyms】
【Formula】
C32 H50 O8
【MolWeight】
562.739
【Inchi】
InChI=1S/C32H50O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25-26,34-35,38-39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
【InChIKey】
InChIKey=LKYNAQSYQLFTCM-GYXNDICUSA-N
【SMILES】
CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O)C)C)C)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CUCURBITACIN IIA.cml
Quick Release
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