기본 정보
- CAS
41988-88-9- 표준 SMILES
C[C@]12CCC[C@@](C)(O)[C@@H]1[C@H]1OC(=O)C(CO)=C1CC2- InChIKey
VHSOLPPARHTCAY-CTHBEMJXSA-N- 분자식
- C15H22O4
- 평균 분자량
- 266.33 g/mol
개요
Arbusclin D has been reported in Artemisia arbuscula with data available.
이름 및 식별자
- 우선 이름
- Arbusclin D
- IUPAC
- (5aR,9R,9aS,9bR)-9-hydroxy-3-(hydroxymethyl)-5a,9-dimethyl-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2-one
- 영어명
- (5aR)-5,5a,6,7,8,9,9aβ,9bα-Octahydro-9β-hydroxy-3-hydroxymethyl-5aα,9-dimethylnaphtho[1,2-b]furan-2(4H)-one
- 분자식
- C15H22O4
- 분자량
- 266.33
이름 및 동의어
Arbusclin D145613-48-5(5aR,9R,9aS,9bR)-9-hydroxy-3-(hydroxymethyl)-5a,9-dimethyl-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2-one(5aR,9R,9aS,9bR)-9-hydroxy-3-(hydroxymethyl)-5a,9-dimethyl-5,6,7,8,9a,9b-hexahydro-4H-benzo(g)(1)benzofuran-2-oneRefChem:113742(+)-4-epi-Arbusclin D4-epi-arbusclin DCHEMBL4787764alpha,12-Dihydroxyeudesm-7(11)-eno-13,6alpha-lactone4beta,12-Dihydroxyeudesm-7(11)-eno-13,6alpha-lactoneDTXSID009326554alpha,12-dihydroxy-eudesm-7(11)-eno-13,6alpha-lactone
이름 더 보기
Arbusculin D(5aR)-5,5a,6,7,8,9,9aβ,9bα-Octahydro-9β-hydroxy-3-hydroxymethyl-5aα,9-dimethylnaphtho[1,2-b]furan-2(4H)-one
(5aR,9R,9aS,9bR)-9-Hydroxy-3-(hydroxymethyl)-5a,9-dimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-b]furan-2(4H)-one9-Hydroxy-3-(hydroxymethyl)-5a,9-dimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-b]furan-2(4H)-oneNaphtho(1,2-b)furan-2(4H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-9-hyddroxy-3-(hydroxymethyl)-5a,9-dimethyl-, (5aR-(5aalpha,9alpha,9abeta,9balpha))-
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 455
물리화학적 성질
- 끓는 점
- 474.521 · 474.521±40.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.251 · 1.251±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.66 · 13.660±0.10(predicted)
관련 반응
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