16-데하이드로프레그네놀론

16-Dehydropregnenolone

HCID 92871

기본 정보

CAS: 1162-53-4
표준 SMILES: CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: YLFRRPUBVUAHSR-RRPFGEQOSA-N
분자식: C21H30O2
평균 분자량: 314.5 g/mol
단동위원소 질량: 314.2245802

개요

16,17-didehydropregnenolone is a 3beta-hydroxy-5-steroid that is pregnenolone with a double bond between positions 16 and 17. It is a 3beta-hydroxy-Delta(5)-steroid, a 20-oxo steroid and an enone. It is functionally related to a pregnenolone.

이름 및 식별자

우선 이름: 16-Dehydropregnenolone
IUPAC: 1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
현지명: 16-데하이드로프레그네놀론
영어명: 16-Dehydropregnenolone
분자식: C21H30O2
분자량: 314.46

이름 및 동의어

16-Dehydropregnenolone1162-53-416-Dehydropregnolone3beta-Hydroxypregna-5,16-dien-20-one16,17-Didehydropregnenolonedelta16-Pregnenolone(-)-PregnadienoloneDelta(16)-pregnenolonePregna-5,16-dien-20-one, 3-hydroxy-, (3beta)-(3beta)-3-hydroxypregna-5,16-dien-20-one5,16-Pregnadien-3beta-ol-20-oneNSC-15467

이름 더 보기

16-데하이드로프레그네놀론16-DPA5,16-PREGNADIEN-3B-ACETOXY-20-ONEDPA16-biseneolonePregnadienoloneDon't progesteroneDehydropregnenoloneAllopregnanolone-001

1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone7349506P5SCHEBI:27486DTXSID401016789Pregna-5,16-dien-20-one, 3beta-hydroxy-1-((3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-17-yl)ethanoneRefChem:78964DTXCID801474987

데이터베이스 식별자

CAS: 1162-53-4
PubChem CID: 92871
DTXSID: DTXSID401016789
ChEBI: CHEBI:27486
UNII: 7349506P5S
EC Number: 214-602-8
Nikkaji: J22.717J

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 23
형식 전하: 0
복잡도: 601

실험 및 물리화학적 성질

LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 212 · 212-214 °C
끓는 점: 456.6 · 456.6±45.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under inert atmosphere
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨), 메탄올 (약간 용해됨,초음파처리)
산도 계수 (pKa): 14.7 · 14.70±0.70(Predicted)
물리적 상태: 고체
색상: 회백색
NIST: 5 · 5,16-Pregnadien-3beta-ol-20-one(1162-53-4)

화학적 성질

White or almost white crystalline powder.

화학 및 산업

응용 분야

용도16-Dehydropregnolone is a novel antihyperlipidemic agent. It can be used in chemotherapeutic drug development.

상·하류 제품 정보

상류 원료

디오스제닌

하류 제품

Pregnenolone 코르티손-21-아세트산 16,17-에폭시프레그네놀론 16-DEHYDROPREGNENOLONE옥심

공급사61 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海科骊科生物技术有限公司021-34975789 18721102763

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

추가 설명 · 1건

정의ChEBI: 16,17-didehydropregnenolone is a 3beta-hydroxy-Delta(5)-steroid that is pregnenolone with a double bond between positions 16 and 17. It is a 20-oxo steroid, an enone and a 3beta-hydroxy-Delta(5)-steroid. It is functionally related to a pregnenolone.

화합물 노트

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