4'-아포-β,ψ-카로틴-4'-오산

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid

HCID 637039CAS 2468-88-4
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기본 정보

표준 SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)C(C)(C)CCC1
InChIKey
UGJYMKZYSUMAKJ-ZGMBEONKSA-N
분자식
C35H46O2
평균 분자량
498.7 g/mol
단동위원소 질량
498.34978071

개요

Neurosporaxanthin is a monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-beta-carotenal to the corresponding carboxylic acid. It is a monocarboxylic acid and an apo carotenoid C35 terpenoid. It is a conjugate acid of a neurosporaxanthin(1-).

이름 및 식별자

우선 이름
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid
IUPAC
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid
현지명
4'-아포-β,ψ-카로틴-4'-오산
영어명
4'-Apo-β,ψ-caroten-4'-oic acid
분자식
C35H46O2
분자량
498.74

이름 및 동의어

Neurosporaxanthinall-trans-Neurosporaxanthin2468-88-4beta-apo-4'-carotenoic acidCHEBI:7540(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acidDTXSID50348404RefChem:905813DTXCID40299476(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid4'-apo-beta-caroten-4'-oic acid4'-apo-beta,psi-caroten-4'-oic acid
이름 더 보기
4'-아포-β,ψ-카로틴-4'-오산4'-Apo-β,ψ-caroten-4'-oic acid
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4'-Apo-.beta.,.psi.-carotenoic acid4'-Apo-.gamma.-carotenoic acid, all-trans-Neurosporaxanthin, all-trans-SCHEMBL1144984'-Apo-.gamma.-carotenoic acidLMPR01070206

데이터베이스 식별자

CAS
2468-88-4
PubChem CID
637039
DTXSID
DTXSID50348404
ChEBI
CHEBI:7540
Nikkaji
J13.795B

물성

구조 계산 물성

XLogP
11.4
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
11
무거운 원자 수
37

실험 및 물리화학적 성질

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

화학 및 산업

추가 설명

정의ChEBI: A monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-beta-carotenal to the corresponding carboxylic acid.

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