1-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))-
기본 정보
- CAS
40522-81-4- 표준 SMILES
CC1(O)C=C[C@@](C)(C2(C)CC[C@@H](O)[C@@]23CO3)CC1- InChIKey
UNKZRHRAZRDEOM-RSFISVRASA-N- 분자식
- C15H24O3
- 평균 분자량
- 252.35 g/mol
- 단동위원소 질량
- 252.17254462
개요
1-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))- has been reported in Fusarium sporotrichioides with data available.
이름 및 식별자
- 우선 이름
- 1-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))-
- IUPAC
- (3S,7R)-4-[(1S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-7-ol
이름 및 동의어
DTXSID101935381-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))-RefChem:1056169DTXCID50116029(3S,7R)-4-((1S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl)-4-methyl-1-oxaspiro(2.4)heptan-7-olUNII-5DKB6A2U8X(3S-(3alpha,4beta,7beta(1R*,4S*)))-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro(2.4)heptan-4-ol7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro(2.4)heptan-4-ol (3S-(3alpha,4beta,7beta(1R*,4S*)))-(3S,4R)-7-[(1S)-4-Hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-7-methyl-1-oxaspiro[2.4]heptan-4-ol
데이터베이스 식별자
- CAS
40522-81-4- PubChem CID
- 56842929
- DTXSID
DTXSID10193538
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 53 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 407
관련 반응
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