all-trans-Neoxanthin

HCID 5281247CAS 30743-41-0

기본 정보

표준 SMILES: C\C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
InChIKey: PGYAYSRVSAJXTE-CLONMANBSA-N
분자식: C40H56O4
평균 분자량: 600.9 g/mol
단동위원소 질량: 600.41786027

개요

All-trans-neoxanthin is a neoxanthin in which all of the double bonds have trans geometry. It has a role as a biological pigment and a plant metabolite.

이름 및 식별자

우선 이름: all-trans-Neoxanthin
IUPAC: trans-(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol
영어명: Neoxanthin(SH)
분자식: C40H56O4
분자량: 600.87024

이름 및 동의어

all-trans-NeoxanthinCHEBI:32446DTXSID60415095(3S,5R,6R,3'S,5'R,6'S)-6,7-didehydro-5',6'-epoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,3'-triolRefChem:1076345DTXCID2036594630743-41-0trans-neoxanthinNeoxanthin - API StandardsSCHEMBL97606PGYAYSRVSAJXTE-CLONMANBSA-NLMPR01070290

이름 더 보기

β,β-Carotene, 6,7-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-3,3',5-trihydroxy-, (3S,3'S,5R,5'R,6R,6'S)-

C08606Q27104219(1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL; Neoxanthin; all-trans-Neoxanthin; neoxanthin(3S,3'S,5R,5'R,6'S)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,3',5-triol(3S,3'S,5R,5'R,6R,6'S,8R)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,3',5-triol

데이터베이스 식별자

CAS: 30743-41-0
PubChem CID: 5281247
DTXSID: DTXSID60415095
ChEBI: CHEBI:32446
Nikkaji: J1.272.683J、J913.078K

물성

구조 계산 물성

XLogP: 8.7
극성 표면적: 73.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 9
무거운 원자 수: 44
형식 전하: 0
복잡도: 1,380

물리화학적 성질

녹는점: 200 °C · 200 °C(Solv: benzene (71-43-2))
끓는 점: 733.3 · 733.3±60.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
산도 계수 (pKa): 14.65 · 14.65±0.60(Predicted)

화학 및 산업

응용 분야

용도all-trans-Neoxanthin is used as a substance in kinetin’s (hormone) photoprotective effect on pigment content and in photochemical activities of wheat chloroplast aging in vitro.

공급사4 곳

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]

BOC Sciences+1-631-485-4226 · [email protected]

ChemeGen 中国18818260767 · [email protected]

추가 설명

정의ChEBI: An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions.

연결된 노트

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