기본 정보
- CAS
64604-09-7- 표준 SMILES
CCCCC/C=C/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O- InChIKey
YVKMFDXQIBCBHY-RGYGYFBISA-N- 분자식
- C36H48O8
- 평균 분자량
- 608.8 g/mol
- 단동위원소 질량
- 608.33491849
이름 및 식별자
- 우선 이름
- 12-O-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate
- IUPAC
- [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E,6E,8E)-tetradeca-2,4,6,8-tetraenoate
- 현지명
- 12-O-테트라데카-2,4,6,8-테트라노일포르볼-13-아세테이트
- 영어명
- 12-O-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate
- 분자식
- C36H48O8
- 분자량
- 608.76
이름 및 동의어
64604-09-712-O-Tetradeca-2,4,6,8-tetranoylphorbol-13-acetateRefChem:7827812-OTTPA2,4,6,8-Tetradecatetraenoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-77550-14-2BRN 2319821TI-812-O-Tetradeca-2-cis,4-trans,6,8-tetraenoylphorbol-13-acetateSCHEMBL29361895[(1S,2S,6R,10S,11R,13S,14R,15R)-13-Acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E,6E,8E)-tetradeca-2,4,6,8-tetraenoate2,4,6,8-Tetradecatetraenoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
이름 더 보기
12-O-테트라데카-2,4,6,8-테트라노일포르볼-13-아세테이트2,4,6,8-Tetradecatetraenoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester (9CI)
5H-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-hydroxymethyl-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-, 9a-acetate, 9-tetradeca-2,4,6,8-tetraenoate, (2Z,4E)-Q268408702,4,6,8-Tetradecatetraenoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
데이터베이스 식별자
- CAS
64604-09-7、77550-14-2- PubChem CID
- 6437362
- Nikkaji
- J128.420G
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,330
물리화학적 성질
- 끓는 점
- 575.17 °C · 575.17°C (rough estimate)
- 밀도
- 1.0867 · 1.0867 (rough estimate)
- 굴절률
- 1.529 · 1.5290 (estimate)
관련 반응
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