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ajugacumbin A chlorohydrin

PropertiesImageOccurences in reactions
MNX_IDMNXM102426Image of MNXM102426
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC27H39ClO7
charge0
mass510.23843
referencechebi:69872
InChIKeyPUHCBNQOZVVESC-PIJHPVSDSA-N
InChIInChI=1S/C27H39ClO7/c1-6-17(2)24(31)34-16-27-21(8-7-10-26(27,32)15-28)25(5,11-9-20-13-23(30)33-14-20)18(3)12-22(27)35-19(4)29/h6,13,18,21-22,32H,7-12,14-16H2,1-5H3/b17-6+/t18-,21-,22+,25+,26+,27+/m1/s1
SMILESC/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:69872
chebi:69872
ajugacumbin A chlorohydrin
[(1S,2R,4S,4aR,5R,8aR)-4-(acetyloxy)-5-(chloromethyl)-5-hydroxy-1,2-dimethyl-1-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydronaphthalen-4a(2H)-yl]methyl (2E)-2-methylbut-2-enoate