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2222-07-3
CUCURBITACIN I
Name
CUCURBITACIN I
Formula
C30 H42 O7
MolWeight
514.655
1Identification
【Name】
CUCURBITACIN I
【CAS】
【MDL】
MFCD09971044
【English Synonyms】
【Formula】
C30 H42 O7
【MolWeight】
514.655
【Inchi】
InChI=1S/C30H42O7/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/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1
【InChIKey】
InChIKey=NISPVUDLMHQFRQ-MKIKIEMVSA-N
【SMILES】
CC1(C2=CC[C@H]3[C@@]4(C[C@H]([C@@H]([C@]4(CC(=O)[C@]3([C@@H]2C=C(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
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CUCURBITACIN I.cml
Quick Release
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http://www.porsefinechemical.com
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Catalog No:AAS-9768 nullnull
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