기본 정보
- CAS
25090-72-6- 표준 SMILES
C/C=C(\C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C- InChIKey
ZZTJICHINNSOQL-LWYYLCCUSA-N- 분자식
- C27H36O7
- 평균 분자량
- 472.6 g/mol
- 단동위원소 질량
- 472.24610348
개요
12-Deoxyphorbol-13-tiglate-20-acetate has been reported in Euphorbia triangularis, Euphorbia caerulescens, and Euphorbia ledienii with data available.
이름 및 식별자
- 우선 이름
- 12-Deoxyphorbol-13-tiglate-20-acetate
- IUPAC
- [(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
- 현지명
- 12-DEXYPHORBOL13-ANGELATE20-아세테이트
- 영어명
- 12-Deoxyphorbol 13-angelate 20-acetate
- 분자식
- C27H36O7
- 분자량
- 472.57
이름 및 동의어
12-Deoxyphorbol-13-tiglate-20-acetate12-Deoxy-phorbol, 20-acetate-13-tiglate[(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(acetoxymethyl)-1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-(2-methyl-2-butenoate), (E)-((1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo(8.5.0.02,6.011,13)pentadeca-3,8-dienyl) (E)-2-methylbut-2-enoateRefChem:78170CHEMBL485825SCHEMBL16794716DTXSID001282704(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(Acetyloxy)methyl]-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl (2E)-2-methylbut-2-enoate12-DEXYPHORBOL13-ANGELATE20-아세테이트12-DPAA
이름 더 보기
12-Deoxyphorbo 13-Angelate 20-Acetate12-deoxy-phorbol,20-acetate-13-tiglate12-Deoxyphorbol 13-angelate 20-acetate9a-(2-methyl-2-butenoate),(e)-9a-alpha-trihydroxy(1aR)-3-(Acetyloxymethyl)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα-dihydroxy-1,1,6,8α-tetramethyl-9aα-[[(Z)-2-methyl-2-butenoyl]oxy]-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, (2E)-
데이터베이스 식별자
- CAS
25090-72-6- PubChem CID
- 6444346
- DTXSID
DTXSID001282704- ChEMBL
CHEMBL485825- Nikkaji
- J148.878C
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 1,050
물리화학적 성질
- 끓는 점
- 493.35 °C · 493.35°C (rough estimate)
- 밀도
- 1.1248 · 1.1248 (rough estimate)
- 굴절률
- 1.58 · 1.5800 (estimate)
- 산도 계수 (pKa)
- 11.31 · 11.31±0.70(Predicted)
화학 및 산업
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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