(5S)-3-((15R,16R,19Z)-15,16-Dihydroxy-19-dotriaconten-1-yl)-5-methyl-2(5H)-furanone
기본 정보
- CAS
293735-20-3- 표준 SMILES
CCCCCCCCCCCC/C=C\CC[C@@H](O)[C@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O- InChIKey
HVFRQLAWDLEDRL-GJPJLVQDSA-N- 분자식
- C37H68O4
- 평균 분자량
- 576.9 g/mol
- 단동위원소 질량
- 576.51176065
개요
Cohibin C is a member of the class of cohibins in which the long-chain dihydroxyalkyl group at position 3 is specified as 15,16-dihydroxydotriacont-19-en-1-yl. NB The absolute configuration of the stereocentre at position 5 on the furanone ring is known to be S, but only the relative configuration of the diol moiety has been assigned as threo. It has not yet been established whether it is the (R,R)-diol (as shown here) or the (S,S)-diol. It has a role as a mouse metabolite and a rat metabolite.
이름 및 식별자
- 우선 이름
- (5S)-3-((15R,16R,19Z)-15,16-Dihydroxy-19-dotriaconten-1-yl)-5-methyl-2(5H)-furanone
- IUPAC
- (2S)-4-[(Z,15R,16R)-15,16-dihydroxydotriacont-19-enyl]-2-methyl-2H-furan-5-one
이름 및 동의어
Cohibin C8HJM9R2AW2CHEBI:134015DTXSID301018170293735-20-3(5S)-3-((15R,16R,19Z)-15,16-Dihydroxy-19-dotriaconten-1-yl)-5-methyl-2(5H)-furanone(5S)-3-[(15R,16R,19Z)-15,16-Dihydroxy-19-dotriaconten-1-yl]-5-methyl-2(5H)-furanoneRefChem:906207DTXCID701476409(2S)-4-((Z,15R,16R)-15,16-dihydroxydotriacont-19-enyl)-2-methyl-2H-furan-5-one(5S)-3-[(15R,16R,19Z)-15,16-Dihydroxydotriacont-19-en-1-yl]-5-methylfuran-2(5H)-one3-[(19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methyl-2,5-dihydrofuran-2-one
이름 더 보기
(2R)-4-((15S,16R)-15,16-BIS(OXIDANYL)DOTRIACONT-19-ENYL)-2-METHYL-2H-FURAN-5-ONE(5S)-3-[(15RS,16RS,19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methylfuran-2(5H)-one2(5H)-Furanone, 3-[(15R,16R,19Z)-15,16-dihydroxy-19-dotriaconten-1-yl]-5-methyl-, (5S)-
데이터베이스 식별자
- CAS
293735-20-3- PubChem CID
- 101058964
- DTXSID
DTXSID301018170
물성
구조 계산 물성
- XLogP
- 13.9
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 30
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 655
관련 반응
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