10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one

HCID 440CAS 601-57-0
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기본 정보

표준 SMILES
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
InChIKey
NYOXRYYXRWJDKP-UHFFFAOYSA-N
분자식
C27H44O
평균 분자량
384.6 g/mol
단동위원소 질량
384.33921603

개요

10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is a cholestanoid.

이름 및 식별자

우선 이름
10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one
IUPAC
10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

이름 및 동의어

10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-oneRefChem:105718917-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one4-Cholestenonedelta-4-Cholesten-3-oneNCIOpen2_008122CERAPP_28175orb1301965SCHEMBL1688732DTXSID50862271
이름 더 보기
CHEBI:180953NYOXRYYXRWJDKP-UHFFFAOYSA-NNSC63000BBL028484MFCD00277694NSC134926SBB058089STL372847

데이터베이스 식별자

CAS
601-57-0
PubChem CID
440
DTXSID
DTXSID50862271
ChEBI
CHEBI:180953

물성

구조 계산 물성

XLogP
8.4
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
5
무거운 원자 수
28

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