5'-Hydroxy Drospirenone
기본 정보
- CAS
863329-71-9- 표준 SMILES
C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(O)O4)[C@@]3(C)CC[C@@H]12- InChIKey
OZHJDAVVZBEUJC-FLBZTRTBSA-N- 분자식
- C24H32O3
- 평균 분자량
- 368.5 g/mol
- 단동위원소 질량
- 368.23514488
이름 및 식별자
- 우선 이름
- 5'-Hydroxy Drospirenone
- IUPAC
- (1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-5'-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]-7-one
- 영어명
- Drospirenone Lactol IMpurity
- 분자식
- C24H32O3
- 분자량
- 368.51
이름 및 동의어
863329-71-95'-Hydroxy Drospirenone(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-5'-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,2'-oxolane]-7-one(1aR,5aR,7aS,8S,8aS,9aS,9bS,9dR)-5'-Hydroxy-5a,7a-dimethyl-1,1a,5,5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-tetradecahydrospiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-oxolan]-3(4H)-oneDrospirenone Impurity (Drospirenone Lactol)Drospirenone Impurity N3(2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-1,4',5',6,7,8,9,10,11,12,13,14,15,16,20,21-Hexadecahydro-5'-hydroxy-10,13-dimethyl-spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-3(2H)-oneDTXSID70857760Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-3(2H)-one,1,4',5',6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-5'-hydroxy-10,13-dimethyl-, (2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-(1aR,2'S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-5'-Hydroxy-5a,7a-dimethyl-1,1a,5,5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-tetradecahydrospiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-oxolan]-3(4H)-one(2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-1,4',5',6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-5'-hydroxy-10,13-dimethyl-spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-3(2H)-one; Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]Drospirenone IMpurity
이름 더 보기
Drospirenone Impurity 14Drospirosterone impurity 23Drospirenone Lactol IMpurity5′-Hydroxy Drospirenone, CAS 863329-71-9Drospirenone Impurity 14 (Drospirenone Lactol)
데이터베이스 식별자
- CAS
863329-71-9- PubChem CID
- 71748996
- DTXSID
DTXSID70857760
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 786
물리화학적 성질
- 끓는 점
- 533.7 · 533.7±50.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.17 · 13.17±0.60(Predicted)
화학 및 산업
응용 분야
용도5’-Hydroxy Drospirenone is an impurity of Drospirenone (D689500).
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