5957-40-4
BREDEMOLIC ACID
Name
BREDEMOLIC ACID
Formula
C30 H48 O4
MolWeight
472.705
1Identification
【Name】
BREDEMOLIC ACID
【CAS】
【MDL】
MFCD09954364
【English Synonyms】
【Formula】
C30 H48 O4
【MolWeight】
472.705
【Inchi】
InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22+,23+,27-,28+,29+,30-/m0/s1
【InChIKey】
InChIKey=MDZKJHQSJHYOHJ-SXISEVPCSA-N
【SMILES】
CC1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@H](C5(C)C)O)O)C)C)[C@@H]2C1)C)C(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BREDEMOLIC ACID.cml
Quick Release
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CIS-1,5-DIMETHYLBICYCLO[3.3.0]OCTANE-3,7-DIONE
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(1S)-(2,5-DIMETHOXY-2,5-DIHYDROFURAN-2-YL)ETHANOL
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CAMPHANIC ACID
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