Name: 3α-Hydroxy tirucall-7,24-dien-21-oic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212687465
Cas No:82509-40-8
常用名:3α-Hydroxy tirucall-7,24-dien-21-oic acid
常用名:3α-Hydroxy tirucall-7,24-dien-21-oic acid
IUPAC:(2S)-2-[(1S,3aS,5aR,7R,9aR,9bR,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
IUPAC:(2S)-2-[(1S,3aS,5aR,7R,9aR,9bR,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
InChI key:CGPBVNAIDFBRJG-HVGLGGOPSA-N

分子式:C30H48O3
分子量:456.711
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:6.6860557
SMILES:[H][C@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6][C@]3([#6])[#6]1=[#6]-[#6][C@@]1([H])C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@]21[#6])-[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O |c:13|
SMILES:[H][C@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6][C@]3([#6])[#6]1=[#6]-[#6][C@@]1([H])C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@]21[#6])-[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O |c:13|

3α-Hydroxy tirucall-7,24-dien-21-oic acid is a natural product from Boswellia carterii Birdw

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