4-Hydroxy-3-[(2S)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}but-1-en-1-yl]-3-methyloxan-2-yl}prop-1-en-1-yl]-6-methylcyclohexyl}propanoyl]furan-2(5H)-one
기본 정보
- CAS
75139-06-9- 표준 SMILES
CO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)/C=C/[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@H]3CCC[C@@H](C)[C@@H]3[C@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1- InChIKey
XZJAKURZQBNKKX-ICUYSKPGSA-N- 분자식
- C35H54O8
- 평균 분자량
- 602.8 g/mol
- 단동위원소 질량
- 602.38186868
이름 및 식별자
- 우선 이름
- 4-Hydroxy-3-[(2S)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}but-1-en-1-yl]-3-methyloxan-2-yl}prop-1-en-1-yl]-6-methylcyclohexyl}propanoyl]furan-2(5H)-one
- IUPAC
- (3Z)-3-[(2S)-1-hydroxy-2-[(1S,2S,6R)-2-[(E)-3-hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propylidene]oxolane-2,4-dione
이름 및 동의어
4-Hydroxy-3-[(2S)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}but-1-en-1-yl]-3-methyloxan-2-yl}prop-1-en-1-yl]-6-methylcyclohexyl}propanoyl]furan-2(5H)-one
데이터베이스 식별자
- CAS
75139-06-9- PubChem CID
- 129653863
- Nikkaji
- J337.291J
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,080
관련 반응
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