51576-08-0
7-HYDROXY-1BETA,4ALPHAA-DIMETHYL-8-METHYLENEGIBBANE-1ALPHA,10BETA-DICARBOXYLIC ACID
Name
7-HYDROXY-1BETA,4ALPHAA-DIMETHYL-8-METHYLENEGIBBANE-1ALPHA,10BETA-DICARBOXYLIC ACID
Formula
C20 H28 O5
MolWeight
348.436
1Identification
【Name】
7-HYDROXY-1BETA,4ALPHAA-DIMETHYL-8-METHYLENEGIBBANE-1ALPHA,10BETA-DICARBOXYLIC ACID
【CAS】
【MDL】
MFCD18781909
【English Synonyms】
【Formula】
C20 H28 O5
【MolWeight】
348.436
【Inchi】
InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1
【InChIKey】
InChIKey=CZEMYYICWZPENF-VOLTXKGXSA-N
【SMILES】
C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)(C)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-HYDROXY-1BETA,4ALPHAA-DIMETHYL-8-METHYLENEGIBBANE-1ALPHA,10BETA-DICARBOXYLIC ACID.cml
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