포밀루로신

Formyl-leurosine

HCID 320745

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54022-49-0
표준 SMILES: CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(c4cc5c(cc4OC)N(C=O)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@H](C3)[C@H]1O2
InChIKey: GLDSBTCHEGZWCV-HLTPFJCJSA-N
분자식: C46H54N4O10
평균 분자량: 822.9 g/mol
단동위원소 질량: 822.38399393

개요

Formyl-leurosine has been reported in Catharanthus roseus with data available.

이름 및 식별자

우선 이름: Formyl-leurosine
IUPAC: methyl (13S,15R,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate
현지명: 포밀루로신
영어명: Formyl-leurosine
분자식: C46H54N4O10
분자량: 822.94

이름 및 동의어

Formyl-leurosineF-Leurosinemethyl (13S,15R,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylateformyl leurosinemethyl (13S,15R,16R,18S)-13-((1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8,16-diazapentacyclo(10.6.1.01,9.02,7.016,19)nonadeca-2,4,6,13-tetraen-4-yl)-18-ethyl-17-oxa-1,11-diazapentacyclo(13.4.1.04,12.05,10.016,18)icosa-4(12),5,7,9-tetraene-13-carboxylateRefChem:141307Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-22-oxo-, (3'alpha,4'alpha)-N-Formyl leurosineVincristine Impurity GSCHEMBL2034392DTXSID60968854GLDSBTCHEGZWCV-HLTPFJCJSA-N

이름 더 보기

포밀루로신NS269419NSC 269419Leuroformine22-OxoleurosineVincristine Impurity 1N-Formyl Leurosine(>85%)N-Demethyl-N-formylleurosine

(3'a,4'a)-4'-Deoxy-3',4'-epoxy-22-oxovincaleukoblastineNSC269419AKOS030242406IF2355222-Oxo-O~3'~,3'-cyclovincaleukoblastineNS00121642Vincaleukoblastine,4'-epoxy-22-oxo-, (3'.alpha.,4'.alpha.)-(6'xi)-22-Oxo-2alpha,3alpha,3'beta,4alpha,5beta,12beta,19beta-O~3'~,3'-cyclovincaleukoblastine

데이터베이스 식별자

CAS: 54022-49-0
PubChem CID: 320745
DTXSID: DTXSID60968854
Nikkaji: J1.698.636D

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 163 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 12
회전 가능 결합 수: 10
무거운 원자 수: 60
형식 전하: 0
복잡도: 1,800

물리화학적 성질

녹는점: 200 · 200-210°C
밀도: 1.425 · 1.425±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 11.102 · 11.102±0.60(predicted)
물리적 상태: 고체
색상: 황백색부터 연한 갈색까지
안정성: 흡습성

화학적 성질

Off-White Solid

화학 및 산업

공급사20 곳

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