Delta-Tocotrienol

HCID 5282350CAS 25612-59-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1
InChIKey
ODADKLYLWWCHNB-LDYBVBFYSA-N
분자식
C27H40O2
평균 분자량
396.6 g/mol
단동위원소 질량
396.30283051

이름 및 식별자

우선 이름
Delta-Tocotrienol
IUPAC
(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
영어명
tocotrienol, delta
분자식
C27H40O2
분자량
396.61

이름 및 동의어

delta-Tocotrienol25612-59-3Tocotrienol, delta1SRB74OWSIDTXSID30180288(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-olJ17.358DCHEBI:332762H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (R-(E,E))-2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,8-DIMETHYL-2-((3E,7E)-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIEN-1-YL)-, (2R)-2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-2R,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
이름 더 보기
D-D-TOCOTRIENOLTOCOTRIENOL, D-DELTA-δ-TocotrienoD-δ-Tocotrienol(R)-δ-TocotrienolD-delta- Tocotrienol(-)-delta-TocotrienolDeltadelta-tocotrienol
(2R)-2,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-2R,8-dimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-chromen-6-olDELTA TOCOTRIENOLRefChem:585693DTXCID40102779607-758-78-Methyltocotrienol

데이터베이스 식별자

CAS
25612-59-3
PubChem CID
5282350
DTXSID
DTXSID30180288
ChEMBL
CHEMBL121305
ChEBI
CHEBI:33276
UNII
1SRB74OWSI
EC Number
607-758-7
Nikkaji
J17.358D

물성

구조 계산 물성

XLogP
8.6
극성 표면적
29.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
9
무거운 원자 수
29

실험 및 물리화학적 성질

Kovats Retention Index · 2건

2985

3072.7

물리화학적 성질

끓는 점
517.3 · 517.3±39.0 °C(Predicted)
밀도
0.968 · 0.968±0.06 g/cm3(Predicted)
저장 조건
20 °C · −20°C
용해도
클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태
Liquid
산도 계수 (pKa)
10.69 · 10.69±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 104 of 104 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 104 of 104 reports by companies.；There are 0 notifications provided by 0 of 104 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationDirective (EC) No 46/2002
Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory InformationDirective (EC) No 46/2002

안전 데이터

wgk
2
HS 번호
29061990
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsExtracellular；Membrane

응용 분야

용도δ-Tocotrienol is a natural substance with vitamin E activity. It can work as an antioxidant. It inhibits the growth of human breast cancer cells.

공급사50 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

추가 설명

정의ChEBI: A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2.

관련 반응

3건
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