Lactucaxanthin

HCID 5281242CAS 78306-12-4

기본 정보

표준 SMILES: CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C
InChIKey: BIPAHAFBQLWRMC-SUOWZELTSA-N
분자식: C40H56O2
평균 분자량: 568.9 g/mol
단동위원소 질량: 568.42803103

개요

Lactucaxanthin is a tunaxanthin that consists of ,-carotene bearing hydroxy substituents at positions 3 and 3' (the 3S,3'S,6S,6'S-diastereomer).

이름 및 식별자

우선 이름: Lactucaxanthin
IUPAC: (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol

이름 및 동의어

Lactucaxanthin78306-12-4CHEBI:6357DTXSID80415092(1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol(1R,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-3,5,5-trimethylcyclohex-2-en-1-olRefChem:152099DTXCID40365943Tunaxanthin FC08599SCHEMBL29542094BIPAHAFBQLWRMC-SUOWZELTSA-N

이름 더 보기

LMPR01070273Q27107159(3R,6R,3'R,6'R)-epsilon,epsilon-Carotene-3,3'-diol(3S,3'S,6S,6'S)-epsilon,epsilon-carotene-3,3'-diol(3R,3'R,6R,6'R)-4,4'-Didehydro-6,6'-dihydro-beta,beta-carotene-3,3'-diol

데이터베이스 식별자

CAS: 78306-12-4
PubChem CID: 5281242
DTXSID: DTXSID80415092
ChEBI: CHEBI:6357
Nikkaji: J945.907C

물성

구조 계산 물성

XLogP: 11.1
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 10
무거운 원자 수: 42
형식 전하: 0
복잡도: 1,160

실험 및 물리화학적 성질

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]

연결된 노트

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