기본 정보
- CAS
20592-44-3- 표준 SMILES
C[C@]12C[C@@H](CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
GGRVPLDBVRRQSR-NWIHUDFTSA-N- 분자식
- C21H34O3
- 평균 분자량
- 334.5 g/mol
- 단동위원소 질량
- 334.25079494
이름 및 식별자
- 우선 이름
- 17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
- IUPAC
- (2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
이름 및 동의어
20592-44-317beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one(2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-oneNSC 530362-alpha-Hydroxymethyl-17-alpha-methyl-17-beta-hydroxyandrostan-3-one17-beta-Hydroxy-2-alpha-(hydroxymethyl)-17-methyl-5-alpha-androstan-3-one5-alpha-ANDROSTAN-3-ONE, 17-beta-HYDROXY-2-alpha-(HYDROXYMETHYL)-17-METHYL-CHEBI:79655DTXSID601166827NSC53036NSC-53036Q27148778
이름 더 보기
17beta-hydroxy-2alpha-(hydroxymethyl)-17alpha-methyl-5alpha-androstan-3-one(2I+/-,5I+/-,17I(2))-17-Hydroxy-2-(hydroxymethyl)-17-methylandrostan-3-one17beta-hydroxy-2alpha-(hydroxy-methyl)-17alpha-methyl-5alpha-androstan-3-one
데이터베이스 식별자
- CAS
20592-44-3- PubChem CID
- 30196
- DTXSID
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 545
관련 반응
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