기본 정보
- CAS
469-36-3- 표준 SMILES
C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C- InChIKey
JBSUVXVGZSMGDJ-YVMHCORFSA-N- 분자식
- C41H60O4
- 평균 분자량
- 616.9 g/mol
- 단동위원소 질량
- 616.44916039
개요
Oryzanol C is a triterpenoid.
이름 및 식별자
- 우선 이름
- Oryzanol C
- IUPAC
- [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- 영어명
- Oryzanol
- 분자식
- C41H60O4
- 분자량
- 616.91
이름 및 동의어
Oryzanol C469-36-324-methylenecycloartanyl ferulate24-methylenecycloartanol ferulateHF5P8298M3UNII-HF5P8298M3[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateORYZANOL C [MI]24-METHYLENECYCLOARTANOL FERULIC ACID ESTER9,19-CYCLO-9.BETA.-LANOSTAN-3.BETA.-OL, 24-METHYLENE-, 4-HYDROXY-3-METHOXYCINNAMATE9,19-CYCLOLANOSTAN-3-OL, 24-METHYLENE-, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOATE, (3.BETA.)-CINNAMIC ACID, 4-HYDROXY-3-METHOXY-, 24-METHYLENE-9,19-CYCLO-9.BETA.-LANOSTAN-3.BETA.-YL ESTER
이름 더 보기
Oryzanol469-36-3 ORYZANOLOryzanol impurity 12Amphetamine Impurity 7Oryzanol Impurity 2(Oryzanol C)24-Methylene cycloartanyl ferulateOryzanol C (24-Methylene Cycloartanyl Ferulate)9,19-Cyclolanostan-3-ol, 24-methylene-, 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, (3β)-
DTXSID70872332((1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-((2R)-6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo(9.7.0.01,3.03,8.012,16)octadecanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate((1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-((2R)-6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo(9.7.0.01,3.03,8.012,16)octadecanyl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateRefChem:168642DTXCID308199809,19-CYCLO-9BETA-LANOSTAN-3BETA-OL, 24-METHYLENE-, 4-HYDROXY-3-METHOXYCINNAMATE9,19-CYCLOLANOSTAN-3-OL, 24-METHYLENE-, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOATE, (3BETA)-
데이터베이스 식별자
- CAS
469-36-3- PubChem CID
- 9920169
- ChEMBL
CHEMBL226006- ChEBI
CHEBI:176239- UNII
- HF5P8298M3
- Nikkaji
- J2.299.272D、J629.493F
물성
구조 계산 물성
- XLogP
- 12.6
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,170
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Other Steroid conjugates [ST0505]
물리화학적 성질
- 녹는점
- 193 · 193-194 °C
- 끓는 점
- 668.4 · 668.4±40.0 °C(Predicted)
- 밀도
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- 저장 조건
- 4 °C, · 4°C, protect from light
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 8 · 8+-.0.20(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사37 곳
北京华美互利生物化工010-56205725 · [email protected]
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