16-데하이드로프레그네놀론아세테이트

Dehydropregnenolone acetate

HCID 92855CAS 979-02-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=CC[C@@H]32)C1
InChIKey
MZWRIOUCMXPLKV-RFOVXIPZSA-N
분자식
C23H32O3
평균 분자량
356.5 g/mol
단동위원소 질량
356.23514488

개요

16-Dehydropregnenolone acetate is a steroid ester.

이름 및 식별자

우선 이름
Dehydropregnenolone acetate
IUPAC
[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
현지명
16-데하이드로프레그네놀론아세테이트
영어명
16-Dehydropregnenolone acetate
분자식
C23H32O3
분자량
356.5

이름 및 동의어

16-Dehydropregnenolone acetate979-02-2Dehydropregnenolone acetate16,17-Didehydropregnenolone acetatePregnadienolone AcetateDTXSID8057857832VMW7ZGCNSC-37741[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetatePregna-5,16-dien-20-one, 3-(acetyloxy)-, (3beta)-DTXCID9031646((3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-yl) acetate
이름 더 보기
16-데하이드로프레그네놀론아세테이트DPA3b-Acetoxy-5,16-pregnadien-20-one5,16-Pregnadien-3b-ol-20-one acetate(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-diMethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate16-Denyprasterone ac20-Oxopregna-5,16-dieAbiraterone Impurity 64dehydropregnenoloneacetate16-denybroregenoioneacetate
RefChem:585662213-558-73beta-Acetoxypregna-5,16-dien-20-one20-Oxopregna-5,16-dien-3beta-yl acetateMFCD00051130NSC 3774116-DPA3beta-Acetoxy-5,16-pregnadien-20-one

데이터베이스 식별자

CAS
979-02-2
PubChem CID
92855
DTXSID
DTXSID8057857
ChEMBL
CHEMBL1761683
ChEBI
CHEBI:34163
UNII
832VMW7ZGC
EC Number
213-558-7
Nikkaji
J22.711K

물성

구조 계산 물성

XLogP
4.5
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
26

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
170 · 170-178°C
끓는 점
464.4 · 464.4±45.0 °C(Predicted)
밀도
1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.

Danger

H360 (16.7%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P263, P264, P270, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: 20-oxopregna-5,16-dien-3-β-yl acetate (EC: 213-558-7)
Hazard Classes and CategoriesRepr. 1A (16.7%)

안전 데이터

wgk
2
rtecs
TU4156200
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

응용 분야

용도16-Dehydropregnenolone Acetate is the dehydration product of Pregnenolone Acetate (). 16-Dehydropregnenolone Acetate is used in the preparation of pregnane derivatives and its glycosides as potential anticancer agents.

상·하류 제품 정보

하류 제품

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]

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