기본 정보
- CAS
10585-57-6- 표준 SMILES
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(O)CO)O4- InChIKey
HCVCUIIDODCONY-UHFFFAOYSA-N- 분자식
- C23H24O8
- 평균 분자량
- 428.4 g/mol
- 단동위원소 질량
- 428.14711772
개요
Amorphigenol is a member of rotenones.
이름 및 식별자
- 우선 이름
- Rotenone, dihydro-dihydroxy-
- IUPAC
- 6-(1,2-dihydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
- 영어명
- 1,2,12,12a-Tetrahydro-2-(1,2-dihydroxy-1-methylethyl)-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one
- 분자식
- C23H24O8
- 분자량
- 428.43
이름 및 동의어
ROTENONE, DIHYDRO-DIHYDROXY-RefChem:1098159Amorphigenol10585-57-66',7'-Dihydro-6',7'-dihydroxyrotenone6-(1,2-dihydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-oneNSC 349633Rotenone, 6',7'-dihydro-6',7'-dihydroxy-NSC3496336',7'-dihydroxyrotenoneDTXSID20909763CHEBI:187689
이름 더 보기
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 2-(1,2-dihydroxy-1-methylethyl)-1,2,12,12a-tetrahydro-8,9-dimethoxy- (9CI)
LMPK12060015NSC-349633Rotenone,7'-dihydro-6',7'-dihydroxy-(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aalphaH)-one, 2alpha-(1,2-dihydroxy-1-methylethyl)-1,2,12,12aalpha-tetrahydro-8,9-dimethoxy-1,2,12,12a-Tetrahydro-2-(1,2-dihydroxy-1-methylethyl)-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1,2,12,12a-Tetrahydro-2-(1,2-dihydroxy-1-methylethyl)-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-oneWLN: T G5 D6 B666 CV HO MO PO DU- L GU- KTTTT&J EQ FQ IY1&U1 SO1 TO1[1]Benzopyrano[3,3-h][1]benzopyran-6(6a.alpha.H)-one, 2.alpha.-(1,2-dihydroxy-1-methylethyl)-1,2,12,12a.alpha.-tetrahydro-8,9-dimethoxy-
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 686
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Rotenoid flavonoids [PK1206]
물리화학적 성질
- 끓는 점
- 655.2 · 655.2±55.0 °C(Predicted)
- 밀도
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.5 · 13.50±0.29(Predicted)
관련 반응
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