2-(6-((9-(Acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl)oxy)-6-oxohexyl)-4,4-dimethyl-2-pentyl-3-oxazolidinyloxy
기본 정보
- CAS
92590-47-1- 표준 SMILES
CCCCCC1(CCCCCC(=O)OC23C(OC(C)=O)C(C)C4(O)C(C=C(CO)CC5(O)C(=O)C(C)=CC54)C2C3(C)C)OCC(C)(C)N1[O]- InChIKey
NARXBSYHADDWFP-UHFFFAOYSA-N- 분자식
- C38H58NO10
- 평균 분자량
- 688.9 g/mol
- 단동위원소 질량
- 688.40607205
이름 및 식별자
- 우선 이름
- 2-(6-((9-(Acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl)oxy)-6-oxohexyl)-4,4-dimethyl-2-pentyl-3-oxazolidinyloxy
- IUPAC
- [2-(6-{[9-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-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]oxy}-6-oxohexyl)-4,4-dimethyl-2-pentyl-1,3-oxazolidin-3-yl]oxidanyl
이름 및 동의어
92590-47-13-Oxazolidinyloxy, 2-(6-((9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl)oxy)-6-oxohexyl)-4,4-dimethyl-2-pentyl-CCRIS 30743-Oxazolidinyloxy, 2-[6-[[9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl]oxy]-6-oxohexyl]-4,4-dimethyl-2-pentyl-2-(6-((9-(Acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl)oxy)-6-oxohexyl)-4,4-dimethyl-2-pentyl-3-oxazolidinyloxyDTXSID50919077[2-(6-{[9-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-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]oxy}-6-oxohexyl)-4,4-dimethyl-2-pentyl-1,3-oxazolidin-3-yl]oxidanyl2-[6-[[9-(ACETYLOXY)-1,1A,1B,4,4A,5,7A,7B,8,9-DECAHYDRO-4A,7B-DIHYDROXY-3-(HYDROXYMETHYL)-1,1,6,8-TE TRAMETHYL-5-OXO-9AH-CYCLOPROPA[3,4]BENZ[1,2-E]AZULEN-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,390
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