[(2R,3S,6R)-1,2-dihydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] (2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate
기본 정보
- 표준 SMILES
C/C(=C\CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@](C)(O)CO)CO- InChIKey
UDYMSQQWPPCJJI-ODHMFEJESA-N- 분자식
- C51H72O9
- 평균 분자량
- 829.1 g/mol
- 단동위원소 질량
- 828.51763388
개요
UDYMSQQWPPCJJI-ODHMFEJESA-N has been reported in Ganoderma sinense with data available.
이름 및 식별자
- 우선 이름
- [(2R,3S,6R)-1,2-dihydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] (2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate
- IUPAC
- [(2R,3S,6R)-1,2-dihydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] (2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate
물성
구조 계산 물성
- XLogP
- 9.6
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,770
관련 반응
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