Name: 3-Oxo-21α-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
Rating: 5 (10 reviews)

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HIT ID:HIT212666778
Cas No:1260173-73-6
常用名:3-Oxo-21α-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
常用名:3-Oxo-21α-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
别名:3-oxo-21-alpha-methoxy-24-25-26-27-tetranortirucall-7-ene-23-21-lactone
别名:3-oxo-21-alpha-methoxy-24-25-26-27-tetranortirucall-7-ene-23-21-lactone
IUPAC:(4S,5R)-4-[(1S,3aS,5aR,9aR,9bR,11aS)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-5-methoxyoxolan-2-one
IUPAC:(4S,5R)-4-[(1S,3aS,5aR,9aR,9bR,11aS)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-5-methoxyoxolan-2-one
InChI key:XFNPHQKEXAQLKO-WNURWBIPSA-N

分子式:C27H40O4
分子量:428.613
氢键供体数 (HBD):0
氢键受体数 (HBA):3
LogP:5.248769
SMILES:[H][C@]1(CC(=O)O[C@H]1OC)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |t:16|
SMILES:[H][C@]1(CC(=O)O[C@H]1OC)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |t:16|

3-Oxo-21α-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone is a cytotoxic tirucallane C26 triterpenoid that has been extracted from the stem barks of Aphanamixis grandifolia.

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