Gambieric acid A

HCID 6436260

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기본 정보

CAS: 138434-64-7
표준 SMILES: C=C1C[C@H]2O[C@@H]3[C@@H](C[C@]2(C)O[C@@H]1C/C(C)=C/[C@@H](C)CO)O[C@H]1C[C@H]2O[C@H]4CC[C@H]5O[C@H]6C[C@H]7O[C@@H](C[C@H](O)C[C@H]8C[C@H](C)[C@H]([C@@H](C)CC(=O)O)O8)[C@@H](O)CC[C@@H]7O[C@]6(C)C[C@]5(C)O[C@@H]4C/C=C\[C@H](C)[C@@H]2O[C@]1(C)[C@H]3O
InChIKey: MSZMCMVREIGRAG-PXDMALBISA-N
분자식: C59H92O16
평균 분자량: 1,057.369 g/mol
단동위원소 질량: 1,056.63853686

우선 이름: Gambieric acid A
IUPAC: (3S)-3-{(2R,3S,5R)-5-[(2R)-3-{(2R,4aR,5aS,6S,6aR,7aS,8S,9Z,11aR,12aS,13aR,14aS,17S,18S,19aR,20aS,21aR,23aS,24aR,25aS,26aR,27aS)-6,17-Dihydroxy-2-[(2E,4R)-5-hydroxy-2,4-dimethylpent-2-en-1-yl]-6a,8,12a,13a,27a-pentamethyl-3-methylidene-2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydrooxepino[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':6,7]oxepino[3,2-b]pyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[2,3-h]oxonin-18-yl}-2-hydroxypropyl]-3-methyloxolan-2-yl}butanoic acid

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CAS: 138434-64-7
표준 SMILES: C=C1C[C@H]2O[C@@H]3[C@@H](C[C@]2(C)O[C@@H]1C/C(C)=C/[C@@H](C)CO)O[C@H]1C[C@H]2O[C@H]4CC[C@H]5O[C@H]6C[C@H]7O[C@@H](C[C@H](O)C[C@H]8C[C@H](C)[C@H]([C@@H](C)CC(=O)O)O8)[C@@H](O)CC[C@@H]7O[C@]6(C)C[C@]5(C)O[C@@H]4C/C=C\[C@H](C)[C@@H]2O[C@]1(C)[C@H]3O
InChIKey: MSZMCMVREIGRAG-PXDMALBISA-N
분자식: C59H92O16
평균 분자량: 1,057.369 g/mol
단동위원소 질량: 1,056.63853686

우선 이름: Gambieric acid A
IUPAC: (3S)-3-{(2R,3S,5R)-5-[(2R)-3-{(2R,4aR,5aS,6S,6aR,7aS,8S,9Z,11aR,12aS,13aR,14aS,17S,18S,19aR,20aS,21aR,23aS,24aR,25aS,26aR,27aS)-6,17-Dihydroxy-2-[(2E,4R)-5-hydroxy-2,4-dimethylpent-2-en-1-yl]-6a,8,12a,13a,27a-pentamethyl-3-methylidene-2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydrooxepino[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':6,7]oxepino[3,2-b]pyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[2,3-h]oxonin-18-yl}-2-hydroxypropyl]-3-methyloxolan-2-yl}butanoic acid

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