3-[2-(4-Hydroxy-3-methoxyphenyl)-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
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기본 정보
- CAS
57296-22-7- 표준 SMILES
COc1cc(C=CC(=O)OCCCc2cc(OC)c3c(c2)C(COC(=O)C=Cc2ccc(O)c(OC)c2)C(c2ccc(O)c(OC)c2)O3)ccc1O- InChIKey
OVFZHMPISOASDF-UHFFFAOYSA-N- 분자식
- C40H40O12
- 평균 분자량
- 712.7 g/mol
- 단동위원소 질량
- 712.25197671
개요
Boehmenan has been reported in Helicteres hirsuta and Drypetes littoralis with data available.
이름 및 식별자
- 우선 이름
- 3-[2-(4-Hydroxy-3-methoxyphenyl)-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- IUPAC
- 3-[2-(4-hydroxy-3-methoxyphenyl)-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- 영어명
- Boehmenan
- 분자식
- C40H40O12
- 분자량
- 712.74
이름 및 동의어
3-[2-(4-hydroxy-3-methoxyphenyl)-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateSCHEMBL28464883DTXSID20702094HCA29622B0005-4764833-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-[[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]methyl]-7-methoxybenzofuran-5-yl]propyl ester3-[2-(4-Hydroxy-3-methoxyphenyl)-3-({[3-(4-hydroxy-3-methoxyphenyl)acryloyl]oxy}methyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate3-[2-(4-Hydroxy-3-methoxyphenyl)-3-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateBoehmenan2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 3-[(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-[[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]-7-methoxy-5-benzofuranyl]propyl ester, (2E)-rel-
물성
구조 계산 물성보충 중
- XLogP
- 6.6
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,180
물리화학적 성질
- 끓는 점
- 851.276 · 851.276±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.305 · 1.305±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 9.735 · 9.735±0.31(predicted)
관련 반응
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