기본 정보
- CAS
65703-35-7- 표준 SMILES
C=CCC12CC(=O)C(O)C(OC)(C(c3cc(OC)c4c(c3)OCO4)C1C)C2O- InChIKey
LZOZNNUTUVJVDZ-UHFFFAOYSA-N- 분자식
- C21H26O7
- 평균 분자량
- 390.4 g/mol
- 단동위원소 질량
- 390.16785316
이름 및 식별자
- 우선 이름
- 4,8-Dihydroxy-5-methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-1-prop-2-enylbicyclo[3.2.1]octan-3-one
- IUPAC
- 2,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-prop-2-enylbicyclo[3.2.1]octan-3-one
- 영어명
- 2,8-Dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-allylbicyclo[3.2.1]octan-3-one
- 분자식
- C21H26O7
- 분자량
- 390.43
이름 및 동의어
65703-35-74,8-dihydroxy-5-methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-1-prop-2-enylbicyclo[3.2.1]octan-3-oneDTXSID20337269LZOZNNUTUVJVDZ-UHFFFAOYSA-N2,8-dihydroxy-1-methoxy-7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]octan-3-oneBicyclo[3.2.1]octan-3-one, 2,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-(2-propenyl)-5-Allyl-2,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]octan-3-one #2,8-Dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-allylbicyclo[3.2.1]octan-3-oneBicyclo[3.2.1]octan-3-one, 2,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-(2-propen-1-yl)-
데이터베이스 식별자
- CAS
65703-35-7- PubChem CID
- 541112
- DTXSID
DTXSID20337269- Nikkaji
- J131.903E
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 94.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 638
물리화학적 성질
- 끓는 점
- 528.4 · 528.4±50.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.65 · 11.65±0.70(Predicted)
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