기본 정보
- CAS
149598-69-6- 표준 SMILES
CC(/C=C/C1OC(=O)C=CC1C)=C\C(C)C/C=C/C(C)=C/C(C)C(=O)C(C)C(O)C(C)C/C(C)=C/CO- InChIKey
LMXMVUQKOHQTKA-UHFFFAOYSA-N- 분자식
- C32H48O5
- 평균 분자량
- 512.7 g/mol
- 단동위원소 질량
- 512.35017463
개요
Reductoleptomycin A has been reported in Streptomyces with data available.
이름 및 식별자
- 우선 이름
- 2-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one
- IUPAC
- 2-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one
- 영어명
- 6-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12- oxo-nonadeca-1,3,7,9,17-pentaenyl]-5-methyl-5,6-dihydropyran-2-one
- 분자식
- C32H48O5
- 분자량
- 512.72
이름 및 동의어
2-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one2H-Pyran-2-one, 5,6-dihydro-6-(14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaenyl)-5-methyl-6-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12- oxo-nonadeca-1,3,7,9,17-penta6-[(1E,3E,7E,9E,17E)-14,19-DIHYDROXY-3,5,9,11,13,15,17-HEPTAMETHYL-12- OXO-NONADECA-1,3,7,9,17-PENTAENYL]-5-METHYL-5,6-DIHYDROPYRAN-2-ONE2H-Pyran-2-one, 6-(14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaenyl)-5,6-dihydro-5-methyl- (9CI)
데이터베이스 식별자
- CAS
149598-69-6- PubChem CID
- 6448769
- Nikkaji
- J550.969F
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 83.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 933
물리화학적 성질
- 끓는 점
- 680.5 · 680.5±55.0 °C(Predicted)
- 밀도
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.16 · 14.16±0.20(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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