기본 정보
- CAS
919103-33-6- 표준 SMILES
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1- InChIKey
MXTCKNHXBBXULO-ZJDHVTHPSA-N- 분자식
- C20H26O2
- 평균 분자량
- 298.4 g/mol
- 단동위원소 질량
- 298.19328007
개요
(4S,4aR,8aS)-4-[(1E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one has been reported in Hedychium coronarium and Hedychium spicatum with data available.
이름 및 식별자
- 우선 이름
- Hedychenone
- IUPAC
- (4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
- 영어명
- (4S)-4α-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8aβ-hexahydro-3,4aα,8,8-tetramethylnaphthalen-1(4H)-one
- 분자식
- C20H26O2
- 분자량
- 298.42
이름 및 동의어
Hedychenone56324-54-0(4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one(4S,4aR,8aS)-4-((E)-2-(furan-3-yl)ethenyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-oneRefChem:922757(4S)-4ALPHA-[(Z)-2-(3-FURYL)VINYL]-4A,5,6,7,8,8ABETA-HEXAHYDRO-3,4AALPHA,8,8-TETRAMETHYLNAPHTHALEN-1(4H)-ONECHEMBL450467orb1682445SCHEMBL29583743DTXSID401107930HY-N4062TN4189
이름 더 보기
Hedychene(4S)-4α-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8aβ-hexahydro-3,4aα,8,8-tetramethylnaphthalen-1(4H)-one(4S,4aR,8aS)-4-[(E)-2-(3-Furyl)vinyl]-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone1(4H)-Naphthalenone, 4-[(1E)-2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-, (4S,4aR,8aS)-
AKOS040761821919103-33-6DA-59528FS-10016CS-0024576(4S)-4|A-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8a|A-hexahydro-3,4a|A,8,8-tetramethylnaphthalen-1(4H)-one1(4H)-Naphthalenone, 4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-, [4S-[4(E),4a,8a]]-; (4S,4aR,8aS)-4-[(1E)-2-(3-Furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-1(4H)-naphthalenone4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl- 1(4H)-naphthalenone (Chem. Abs. name)
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 30.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 514
물리화학적 성질
- 끓는 점
- 402.2 · 402.2±44.0 °C(Predicted)
- 밀도
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1
- InChIKey
- MXTCKNHXBBXULO-ZJDHVTHPSA-N
- SMILES
- C1(=O)[C@]2([H])[C@](C)(CCCC2(C)C)[C@@H](/C=C/C2C=COC=2)C(C)=C1
화학 및 산업
공급사29 곳
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