Name: Hainanic acid B
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HIT ID:HIT218679508
Cas No:
Common Name:Hainanic acid B
IUPAC:4-hydroxy-6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid
IUPAC:4-hydroxy-6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid
InChI key:RVRNJZAQXDIPCI-UHFFFAOYSA-N

Molecular Formula:C30H42O7
Molecular Weight:514.659
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CC(CC(O)C=C(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
SMILES:CC(CC(O)C=C(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O

Hainanic acid B is a natural product that can be used as a reference standard. The CAS number of Hainanic acid B is 1637737-46-2.

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