Lucialdehyde B
HIT214316011
sdf文件结构编辑类似物检索
HIT ID: HIT214316011
Cas No: 480439-84-7
分子式: C30H44O3
分子量: 452.679
常用名: Lucialdehyde B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2E,6R)-6-[(1R,3aR,5aR,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal
IUPAC: (2E,6R)-6-[(1R,3aR,5aR,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C=O |c:6|
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C=O |c:6|
InChI key: KZOBOICRKKYGAQ-GOUGDUPLSA-N
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