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기본 정보
- CAS
64854-98-4- 표준 SMILES
CCC(C)C(=O)OCC1(C)C2C3C=C(CO)CC4(O)C(=O)C(C)=CC4C3(O)C(C)CC21OC(=O)Cc1ccccc1- InChIKey
ZYOWRJJLOWQJNS-UHFFFAOYSA-N- 분자식
- C33H42O8
- 평균 분자량
- 566.691 g/mol
- 단동위원소 질량
- 566.2879683
이름 및 식별자
- 우선 이름
- {4a,7b-Dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-5-oxo-9a-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl}methyl 2-methylbutanoate
- IUPAC
- {4a,7b-Dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-5-oxo-9a-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl}methyl 2-methylbutanoate
- 영어명
- Benzeneacetic acid 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-1-[(2-methyl-1-oxobutoxy)methyl]-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
- 분자식
- C33H42O8
- 분자량
- 566.68
이름 및 동의어
Candletoxin BBenzeneacetic acid 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-1-[(2-methyl-1-oxobutoxy)methyl]-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl esterBenzeneacetic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-1-[(2-methyl-1-oxobutoxy)methyl]-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester (9CI)
데이터베이스 식별자
- CAS
64854-98-4- PubChem CID
- 198484
- DTXSID
DTXSID60983446- Nikkaji
- J39.980I
물성
물리화학적 성질
- 끓는 점
- 551.39 °C · 551.39°C (rough estimate)
- 밀도
- 1.1168 · 1.1168 (rough estimate)
- 굴절률
- 1.49 · 1.4900 (estimate)
- 산도 계수 (pKa)
- 11.29 · 11.29±0.70(Predicted)
관련 반응
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