[2-[4-[5-Acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxolan-3-yl] benzoate
기본 정보
- CAS
147742-13-0- 표준 SMILES
CC(=O)OCC1OC(OC2C(OC(=O)C=Cc3ccc(O)cc3)C(COC(C)=O)OC(OC3(COC(=O)C=Cc4ccc(O)cc4)OC(CO)C(O)C3OC(=O)c3ccccc3)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(C)=O- InChIKey
XIFPYQUNAMJPOH-UHFFFAOYSA-N- 분자식
- C61H74O34
- 평균 분자량
- 1,351.2 g/mol
- 단동위원소 질량
- 1,350.4061494
개요
XIFPYQUNAMJPOH-UHFFFAOYSA-N has been reported in Polygala amarella with data available.
이름 및 식별자
- 우선 이름
- [2-[4-[5-Acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxolan-3-yl] benzoate
- IUPAC
- [2-[4-[5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxolan-3-yl] benzoate
- 영어명
- a-D-Glucopyranoside,3-O-benzoyl-1-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl O-b-D-glucopyranosyl-(1(R)2)-O-[O-b-D-glucopyranosyl-(1(R)3)-4,6-di-O-acetyl-b-D-glucopyranosyl-(1(R)3)]-, 6-acetate4-[(2E)-3-(4-hydroxyphenyl)-2-propenoate] (9CI)
- 분자식
- C61H74O34
- 분자량
- 1351.23
이름 및 동의어
orb2663448Tenuifoliose HTenuifoliside Hα-D-Glucopyranoside, 3-O-benzoyl-1-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl O-β-D-glucopyranosyl-(1→3)-O-4,6-di-O-acetyl-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-, 6-acetate 4-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]a-D-Glucopyranoside,3-O-benzoyl-1-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl O-b-D-glucopyranosyl-(1(R)2)-O-[O-b-D-glucopyranosyl-(1(R)3)-4,6-di-O-acetyl-b-D-glucopyranosyl-(1(R)3)]-, 6-acetate4-[(2E)-3-(4-hydroxyphenyl)-2-propenoate] (9CI)
데이터베이스 식별자
- CAS
147742-13-0- PubChem CID
- 74029849
물성
구조 계산 물성
- XLogP
- -1.8
- 극성 표면적
- 504 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 34
- 회전 가능 결합 수
- 31
- 무거운 원자 수
- 95
- 형식 전하
- 0
- 복잡도
- 2,550
물리화학적 성질
- 끓는 점
- 1351.9 · 1351.9±65.0 °C(Predicted)
- 밀도
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.56 · 8.56±0.15(Predicted)
화학 및 산업
공급사14 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
上海研纯生物医药科技有限公司4001-009266 17349750668 · [email protected]
成都昂赛思生物科技有限公司13518187787 · [email protected]
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