기본 정보
- CAS
55785-58-5- 표준 SMILES
C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)CC[C@@H](O)[C@@H]1C- InChIKey
WKZMDQXEUJZALS-OANMRLRGSA-N- 분자식
- C15H20O4
- 평균 분자량
- 264.32 g/mol
- 단동위원소 질량
- 264.13615911
개요
Phomenone is a sesquiterpenoid.
이름 및 식별자
- 우선 이름
- (1aR,6R,7R,7aR,7bR)-4,5,6,7,7a,7b-Hexahydro-6-hydroxy-1a-(1-(hydroxymethyl)ethenyl)-7,7a-dimethylnaphth(1,2-b)oxiren-2(1aH)-one
- IUPAC
- (1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
- 현지명
- 포메논
- 영어명
- Phomenone
- 분자식
- C15H20O4
- 분자량
- 264.32
이름 및 동의어
Phomenone55785-58-5(1aR,6R,7R,7aR,7bR)-4,5,6,7,7a,7b-Hexahydro-6-hydroxy-1a-(1-(hydroxymethyl)ethenyl)-7,7a-dimethylnaphth(1,2-b)oxiren-2(1aH)-one(1aR,6R,7R,7aR,7bR)-4,5,6,7,7a,7b-Hexahydro-6-hydroxy-1a-[1-(hydroxymethyl)ethenyl]-7,7a-dimethylnaphth[1,2-b]oxiren-2(1aH)-oneRefChem:905674(1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(1-(hydroxymethyl)vinyl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho(1,2-b)oxiren-2-one(1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-oneDTXSID00971165(1ar,6r,7r,7ar,7br)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1ah)-oneCHEBI:8115MEGxm0_000426CHEMBL1172874
이름 더 보기
포메논(1aR)-4,5,6,7,7a,7bα-Hexahydro-6β-hydroxy-1a-[1-(hydroxymethyl)ethenyl]-7α,7aα-dimethylnaphth[1,2-b]oxiren-2(1aH)-oneNaphth[1,2-b]oxiren-2(1aH)-one, 4,5,6,7,7a,7b-hexahydro-6-hydroxy-1a-[1-(hydroxymethyl)ethenyl]-7,7a-dimethyl-, (1aR,6R,7R,7aR,7bR)-
AKOS030213213NCGC00380396-01(1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-1aH,2H,4H,5H,6H,7H,7aH,7bH-naphtho[1,2-b]oxiren-2-oneC09708Q271078036-Hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-oneNaphth(1,2-b)oxiren-2(1aH)-one, 4,5,6,7,7a,7b-hexahydro-6-hydroxy-1a-(1-(hydroxymethyl)ethenyl)-7,7a-dimethyl-, (1aR-(1aalpha,6beta,7alpha,7aalpha,7balpha))-
데이터베이스 식별자
- CAS
55785-58-5- PubChem CID
- 93306
- DTXSID
DTXSID00971165- ChEMBL
CHEMBL1172874- ChEBI
CHEBI:8115- Nikkaji
- J12.345E
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 494
화학 및 산업
공급사1 곳
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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