5-Hydroxy-15 beta,16 beta-methylene-3 beta-pivaloyloxy-5 beta-androst-6-en-17-one

HCID 13075972

기본 정보

CAS
82543-14-4
표준 SMILES
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)[C@H]5C[C@H]5[C@H]4[C@@H]3C=C[C@]2(O)C1
InChIKey
FFDPCMQAAUBAQI-BDIDVDKGSA-N
분자식
C25H36O4
평균 분자량
400.5 g/mol
단동위원소 질량
400.26135963

이름 및 식별자

우선 이름
5-Hydroxy-15 beta,16 beta-methylene-3 beta-pivaloyloxy-5 beta-androst-6-en-17-one
IUPAC
[(1R,2S,3S,5S,7S,10S,11R,14S,16R)-16-hydroxy-7,11-dimethyl-6-oxo-14-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-17-enyl] 2,2-dimethylpropanoate
영어명
3'H-Cycloprop[15,16]androsta-6,15-dien-17-one, 3-(2,2-dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-, (3β,5β,15α,16α)-
분자식
C25H36O4
분자량
400.55

이름 및 동의어

DTXSID8010364645-Hydroxy-15 beta,16 beta-methylene-3 beta-pivaloyloxy-5 beta-androst-6-en-17-one82543-14-4(3beta,5beta,15alpha,16alpha)-3-(2,2-Dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one(3beta,5beta,15alpha,16alpha)-3-(2,2-Dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-3'H-cycloprop(15,16)androsta-6,15-dien-17-oneRefChem:536158DTXCID101520652EC 617-345-3617-345-3AGZ4EV3KPESCHEMBL855991FFDPCMQAAUBAQI-BDIDVDKGSA-N
이름 더 보기
3'H-Cycloprop[15,16]androsta-6,15-dien-17-one, 3-(2,2-dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-, (3β,5β,15α,16α)-(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-10a-Hydroxy-4a,6a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,10a-hexadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-2-yl 2,2-dimethylpropanoate
NS000044115beta-hydroxy-15beta,16beta-methylene-3beta-pivaloyloxyandrost-6-en-17-one5-hydroxy-15beta,16beta-methylene-3beta-pivaloyloxy-5beta-androst-6-en-17-one(1R,2S,3S,5S,7S,10S,11R,14S,16R)-16-hydroxy-7,11-dimethyl-6-oxopentacyclo[8.8.0.0^{2,7}.0^{3,5}.0^{11,16}]octadec-17-en-14-yl 2,2-dimethylpropanoate3'H-Cycloprop[15,16]androsta-6,15-dien-17-one, 3-(2,2-dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-, (3beta,5beta,15alpha,16alpha)-

데이터베이스 식별자

CAS
82543-14-4
PubChem CID
13075972
DTXSID
DTXSID801036464
UNII
AGZ4EV3KPE
EC Number
617-345-3

물성

구조 계산 물성

XLogP
4.2
극성 표면적
63.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
29

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

끓는 점
494.9 · 494.9±45.0 °C(Predicted)
밀도
1.17 · 1.17±0.1 g/cm3(Predicted)
산도 계수 (pKa)
13 · 13+-.0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 09-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12831
Hazard Classes and CategoriesNot Classified

화학 및 산업

공급사3 곳

郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东子易医药有限公司13173053288 · [email protected]

관련 반응

9건

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