3α-Akebonoic Acid | 3αAkebonoic acid | 3α Akebonoic acid | CAS 104777-61-9 | AnyMole

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HIT213887253

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HIT213887253

HIT ID:HIT213887253
Cas No:104777-61-9
常用名:3α-Akebonoic Acid
别名:3αAkebonoic acid, 3α Akebonoic acid
IUPAC:(4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:XWVVPZWKCNXREE-WPLIZOQJSA-N

分子式:C29H44O3
分子量:440.668
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O |t:18|
SMILES:CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O |t:18|

3α-Akebonoic acid is a natural product isolated from Holboellia coriacea Diels with antitumor activity.

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