Lappaol A
기본 정보
- CAS
62333-08-8- 표준 SMILES
COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)[C@H](CO)[C@@H](c2ccc(O)c(OC)c2)O3)ccc1O- InChIKey
PYLYQTVVQXPBIJ-OUZJQUPYSA-N- 분자식
- C30H32O9
- 평균 분자량
- 536.6 g/mol
- 단동위원소 질량
- 536.20463259
개요
Lappaol A is a member of benzofurans.
이름 및 식별자
- 우선 이름
- Lappaol A
- IUPAC
- (3R,4R)-4-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
- 영어명
- 4-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-yl]methyl]-4,5-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]furan-2(3H)-one
- 분자식
- C30H32O9
- 분자량
- 536.57
이름 및 동의어
LAPPAOL A62333-08-8YU544603T7NSC-2870662(3H)-FURANONE, 4-(((2S,3R)-2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANYL)METHYL)DIHYDRO-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-, (3R,4R)-RefChem:41574(3R,4R)-4-(((2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-2-oneUNII-YU544603T7NSC 287066(3R,4R)-3-(4-hydroxy-3-methoxybenzyl)-4-(((2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)methyl)dihydrofuran-2(3H)-oneorb1684968CHEMBL6152325
이름 더 보기
4-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-yl]methyl]-4,5-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]furan-2(3H)-one2(3H)-Furanone, 4-[[(2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-
SCHEMBL30804226CHEBI:81273HY-N2475TN1072AKOS040760136CS-0022746C17684Q27155214
데이터베이스 식별자
- CAS
62333-08-8- PubChem CID
- 46173976
- ChEMBL
CHEMBL6152325- ChEBI
CHEBI:81273- UNII
- YU544603T7
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 809
물리화학적 성질
- 끓는 점
- 737.7 · 737.7±60.0 °C(Predicted)
- 밀도
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.81 · 9.81±0.35(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
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