기본 정보
- CAS
19913-01-0- 표준 SMILES
COC1=C[C@]23C[C@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=O- InChIKey
SXHVHWXETMBKPP-KXXATPMCSA-N- 분자식
- C20H20O5
- 평균 분자량
- 340.4 g/mol
- 단동위원소 질량
- 340.13107373
개요
Futoenone is a neolignan with formula C20H20O5 that is isolated from Magnolia sprengeri and Piper wallichii. It has a role as a plant metabolite. It is a neolignan, an organic heterotricyclic compound, a bridged compound, a ring assembly, a member of benzodioxoles, a cyclic ketone, an enol ether and an enone.
이름 및 식별자
- 우선 이름
- (2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one
- IUPAC
- (1S,8S,10S,11R)-10-(1,3-benzodioxol-5-yl)-3-methoxy-11-methyl-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one
- 영어명
- Futoenone
- 분자식
- C20H20O5
- 분자량
- 340.37
이름 및 동의어
Futoenone19913-01-0CHEBI:132647DTXSID201107665(1S,8S,10S,11R)-10-(1,3-benzodioxol-5-yl)-3-methoxy-11-methyl-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one(2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one(1S,8S,10S,11R)-10-(1,3-benzodioxol-5-yl)-3-methoxy-11-methyl-7-oxatricyclo(6.3.1.01,6)dodeca-2,5-dien-4-oneRefChem:1050015DTXCID101539312(-)-FutoenoneCHEMBL295191orb1682543
이름 더 보기
8H-2,5a-Methano-1-benzoxepin-8-one, 4-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-, (2S,4S,5R,5aS)-(2alpha,4alpha,5beta,5aalpha)-(-)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one
SCHEMBL3468519SXHVHWXETMBKPP-KXXATPMCSA-NHY-N3914OAS 1136BDBM50213210TN4088AKOS032949051DA-73593
데이터베이스 식별자
- CAS
19913-01-0- PubChem CID
- 9819306
- DTXSID
DTXSID201107665- ChEMBL
CHEMBL295191- ChEBI
CHEBI:132647- Nikkaji
- J237.964C
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 54 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 652
물리화학적 성질
- 녹는점
- 197 ℃ · 197℃
- 끓는 점
- 522.6 · 522.6±50.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
화학 및 산업
공급사18 곳
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
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云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
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上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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