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2-(2-((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)oxy)-2-oxoethyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy

HCID 150732
노트반응
기본 정보이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
82245-38-3
표준 SMILES
CCCCCCCCCCCCCC1(CC(=O)OC2C(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C3C(C)(C)C23OC(C)=O)OCC(C)(C)N1[O]
InChIKey
RFPCGVSSBBBMGS-UHFFFAOYSA-N
분자식
C42H66NO10
평균 분자량
745 g/mol
단동위원소 질량
744.4686723

이름 및 식별자

우선 이름
2-(2-((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)oxy)-2-oxoethyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy
IUPAC
[2-(2-{[9a-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl]oxy}-2-oxoethyl)-4,4-dimethyl-2-tridecyl-1,3-oxazolidin-3-yl]oxidanyl

이름 및 동의어

82245-38-32-(2-((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)oxy)-2-oxoethyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxyCCRIS 30682-[2-[[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]oxy]-2-oxoethyl]-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxyDTXSID201002580[2-(2-{[9a-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl]oxy}-2-oxoethyl)-4,4-dimethyl-2-tridecyl-1,3-oxazolidin-3-yl]oxidanyl2-[2-[[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-

데이터베이스 식별자

CAS
82245-38-3
PubChem CID
150732
DTXSID
DTXSID201002580

물성

구조 계산 물성

XLogP
6.7
극성 표면적
144 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
19
무거운 원자 수
53
형식 전하
0
복잡도
1,450

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