(22S,24E)-3β,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid
HIT218850877
sdf文件结构编辑类似物检索
HIT ID: HIT218850877
Cas No: 1846584-06-2
分子式: C34H50O6
分子量: 554.768
常用名: (22S,24E)-3β,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid
常用名: (22S,24E)-3β,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2E,5S,6S)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid
IUPAC: (2E,5S,6S)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid
SMILES: [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@H](C)[C@H](C\C=C(/C)C(O)=O)OC(C)=O
SMILES: [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@H](C)[C@H](C\C=C(/C)C(O)=O)OC(C)=O
InChI key: RXLRLJSRXDHQCH-AERNORENSA-N
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