기본 정보
- CAS
85764-11-0- 표준 SMILES
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@H](O)C(CO)=CC2=O- InChIKey
ZJIGIRXWBMNWPJ-PEPYYZTCSA-N- 분자식
- C22H32O5
- 평균 분자량
- 376.5 g/mol
- 단동위원소 질량
- 376.22497412
개요
Macrophorin C is a member of cyclohexenones.
이름 및 식별자
- 우선 이름
- Macrophorin C
- IUPAC
- (1R,5R,6R)-1-[[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
이름 및 동의어
Macrophorin C6PI1M9UNTJUNII-6PI1M9UNTJ85764-11-0(1R,2R,6R)-6-(((1S,4aR,6S,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl)methyl)-2-hydroxy-3-(hydroxymethyl)-7-oxabicyclo(4.1.0)hept-3-en-5-one7-Oxabicyclo(4.1.0)hept-3-en-2-one, 1-((decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methyl)-5-hydroxy-4-(hydroxymethyl)-, (1S-(1alpha(1S*,5S*,6S*),4abeta,6alpha,8aalpha))-CHEBI:174988DTXSID201099397(1R,5R,6R)-1-[[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one(1R,5R,6R)-1-[[(1S,4aR,6S,8aR)-Decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one7-OXABICYCLO(4.1.0)HEPT-3-EN-2-ONE, 1-((DECAHYDRO-6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-1-NAPHTHALENYL)METHYL)-5-HYDROXY-4-(HYDROXYMETHYL)-, (1S-(1.ALPHA.(1S*,5S*,6S*),4A.BETA.,6.ALPHA.,8A.ALPHA.))-
데이터베이스 식별자
- CAS
85764-11-0- PubChem CID
- 101301307
- DTXSID
DTXSID201099397- ChEBI
CHEBI:174988
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 90.3 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 709
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