17beta-Hydroxy-5beta-estran-3-one

HCID 21634212

기본 정보

표준 SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O
InChIKey: RHVBIEJVJWNXBU-XZVKZCCLSA-N
분자식: C18H28O2
평균 분자량: 276.4 g/mol

개요

17beta-hydroxy-5beta-estran-3-one is a C18 steroid with 5beta-configuration formed from nandrolone by reduction across the C4-C5 double bond. It has a role as a human metabolite. It is a 3-oxo-5beta-steroid and a 17beta-hydroxy steroid. It derives from a hydride of a 5beta-estrane.

이름 및 식별자

우선 이름: 17beta-Hydroxy-5beta-estran-3-one
IUPAC: (5R,8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one

이름 및 동의어

17beta-hydroxy-5beta-estran-3-one17b-Hydroxy-5b-estran-3-one(5beta,17beta)-17-hydroxyestran-3-one17beta-hydroxy-19-nor-5beta-androstan-3-oneSCHEMBL5863117CHEBI:87333RHVBIEJVJWNXBU-XZVKZCCLSA-N(5b,17b)-17-Hydroxyestran-3-one17b-Hydroxy-19-nor-5b-androstan-3-oneQ27159535(5R,8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one19468-31-6

데이터베이스 식별자

PubChem CID: 21634212
ChEBI: CHEBI:87333

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 20
형식 전하: 0
복잡도: 418

화합물 노트

불러오는 중…