기본 정보
- CAS
170591-47-6- 표준 SMILES
CCCCCCCCCC[C@@H]1O[C@H]([C@@H](O)CC[C@H](O)[C@@H]2CC[C@@H](CCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)CC[C@H]1O- InChIKey
PIKSSLVYUFERQJ-OKPRCEDISA-N- 분자식
- C37H66O8
- 평균 분자량
- 638.9 g/mol
- 단동위원소 질량
- 638.47576906
개요
(5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-2(5H)-furanone has been reported in Annona mucosa with data available.
이름 및 식별자
- 우선 이름
- (5S)-3-((2R)-9-((2R,5S)-5-((1S,4S)-4-((2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl)-1,4-dihydroxybutyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-2(5H)-furanone
- IUPAC
- (2S)-4-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-decyl-5-hydroxyoxan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
이름 및 동의어
(5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-2(5H)-furanone(2S)-4-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyl-5-hydroxyoxan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one170591-47-6(2S)-4-((2R)-9-((2R,5S)-5-((1S,4S)-4-((2S,5R,6S)-6-decyl-5-hydroxyoxan-2-yl)-1,4-dihydroxybutyl)oxolan-2-yl)-2-hydroxynonyl)-2-methyl-2H-furan-5-one(5S)-3-((2R)-9-((2R,5S)-5-((1S,4S)-4-((2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl)-1,4-dihydroxybutyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-2(5H)-furanoneRefChem:209624DTXSID101099099
데이터베이스 식별자
- CAS
170591-47-6- PubChem CID
- 10009302
- DTXSID
DTXSID101099099- Nikkaji
- J718.581B
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 833
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