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3877-86-9
CUCURBITACIN D
Name
CUCURBITACIN D
Formula
C30 H44 O7
MolWeight
516.671
1Identification
【Name】
CUCURBITACIN D
【CAS】
【MDL】
MFCD01711333
【English Synonyms】
【Formula】
C30 H44 O7
【MolWeight】
516.671
【Inchi】
InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20?,23+,27+,28-,29+,30+/m1/s1
【InChIKey】
InChIKey=SRPHMISUTWFFKJ-HLACELQYSA-N
【SMILES】
CC1(C2=CCC3[C@@]4(C[C@H]([C@@H]([C@]4(CC(=O)[C@]3([C@@H]2C[C@@H](C1=O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CUCURBITACIN D.cml
Quick Release
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