[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

HCID 68636631

기본 정보

표준 SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)NCCCCCC(=O)NC(CO)CO)CCC4(C)C3CCC12C
InChIKey
WVIXSZMOXPCBSL-UHFFFAOYSA-N
분자식
C37H64N2O5
평균 분자량
616.9 g/mol

이름 및 식별자

우선 이름
[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
IUPAC
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[6-(1,3-dihydroxypropan-2-ylamino)-6-oxohexyl]carbamate

이름 및 동의어

SCHEMBL3422824WVIXSZMOXPCBSL-UHFFFAOYSA-N[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

데이터베이스 식별자

PubChem CID
68636631

물성

구조 계산 물성

XLogP
8
극성 표면적
108 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
5
회전 가능 결합 수
16
무거운 원자 수
44

관련 반응

4건

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