Pinoresinol diglucoside

HCID 174003

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63902-38-5
표준 SMILES: COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: ZJSJQWDXAYNLNS-FUPWJLLWSA-N
분자식: C32H42O16
평균 분자량: 682.7 g/mol
단동위원소 질량: 682.24728526

개요

Pinoresinol diglucoside is a glycoside and a lignan.

이름 및 식별자

우선 이름: Pinoresinol diglucoside
IUPAC: (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
영어명: PINORESINOL DIGLUCOSIDE(P)(PLEASE CALL)
분자식: C32H42O16
분자량: 682.67

이름 및 동의어

Pinoresinol diglucoside63902-38-5DTXSID50213522beta-D-Glucopyranoside, (tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis(2-methoxy-4,1-phenylene) bis-, (1S-(1alpha,3aalpha,4alpha,6aalpha))-RefChem:929309DTXCID80136013Pinoresinol-diglucosideMFCD06656077Pinoresinol diglucopyranosidePinoresinol?diglucoside(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6S,6'S)-6,6'-((((1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2-methoxy-4,1-phenylene))bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol)[(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2-methoxy-4,1-phenylene) bis-beta-D-glucopyranoside

이름 더 보기

PINONIC ACID(RG)Resinol di-glucosidePinoresino-diglucosidePinoresinol Diglucoside(P)Pinoresinol diglucoside-RMPinoresinol di-β-D-glucosidePINORESINOL DIGLUCOPYRANOSIDE(P)Pinoresinol diglucoside (Standard)Pinoresinol diglucoside, 10 mM in DMSO

(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6S,6'S)-6,6'-((((1S,3aR,4S,6aR)-hexahydrofuro[3,4-c]furan-1,4-diyl)bis(2-methoxy-4,1-phenylene))bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol)Pinoresinoldiglucoside(+)-pinoresinol di-O-beta-d-glucopyranosidepinoresinol di-O-glucose(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolCHEMBL450911pinoresinol di-O-glucopyranosideSCHEMBL27966449

데이터베이스 식별자

CAS: 63902-38-5
PubChem CID: 174003
DTXSID: DTXSID50213522
ChEMBL: CHEMBL450911
ChEBI: CHEBI:228899
Nikkaji: J292.921J

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 236 Å²
수소 결합 공여자 수: 8
수소 결합 수용자 수: 16
회전 가능 결합 수: 10
무거운 원자 수: 48
형식 전하: 0
복잡도: 947

물리화학적 성질

녹는점: 250 · 250-251 °C
끓는 점: 917.3 · 917.3±65.0 °C(Predicted)
밀도: 1.498 · 1.498
인화점: 509 ℃ · 509℃
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열), 물(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.5 · 12.50±0.70(Predicted)
색상: 페일베이지부터 라이트베이지까지
안정성: 흡습성
주요 응용: 대사체학비타민, 기능성 식품 및 천연 제품
InChIKey: ZJSJQWDXAYNLNS-XVFQKXDBNA-N
SMILES: O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC2=CC=C([C@H]3OC[C@@]4([H])[C@]3([H])CO[C@@H]4C5=CC=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(OC)=C5)C=C2OC)[C@@H]1O

안전 및 규제

안전 데이터

wgk: WGK 3
HS 번호: 29389090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Pinoresinol Diglucoside is a sugar lignan which inhibits α-glucosidase in vitro, displaying the ability to act as a hypoglycemic agent.

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

成都曼思特生物科技有限公司18010516991 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

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