Lucidadiol
기본 정보
- CAS
252351-95-4- 표준 SMILES
C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO- InChIKey
AZPOACUDFJKUHJ-GPEQXWBKSA-N- 분자식
- C30H48O3
- 평균 분자량
- 456.7 g/mol
- 단동위원소 질량
- 456.36034539
개요
Lucidadiol is a triterpenoid.
이름 및 식별자
- 우선 이름
- Lucidadiol
- IUPAC
- (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
- 영어명
- Lucidadiol
- 분자식
- C30H48O3
- 분자량
- 456.7
이름 및 동의어
LUCIDADIOL252351-95-4(3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one(3S,5R,10S,13R,14R,17R)-3-hydroxy-17-((E,2R)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta(a)phenanthren-7-oneRefChem:1542055-hydroxy-14-((5E)-7-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,11,15-pentamethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-1(10)-en-9-one5-hydroxy-14-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-9-oneGanoderon BANY54A9QKXUNII-ANY54A9QKX3,26-Dihydroxylanosta-8,24-dien-7-oneCHEMBL1915764
이름 더 보기
Lanosta-8,24-dien-7-one, 3,26-dihydroxy-, (3β,24E)-
(3beta,24E)-3,26-Dihydroxylanosta-8,24-dien-7-one(1R,3aR,5aR,7S,9aS,11aR)-7-Hydroxy-1-((2R,5E)-7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3ah,4H,5H,5ah,6H,7H,8H,9H,9ah,10H,11H,11ah-cyclopenta(a)phenanthren-4-one(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-1-[(2R,5E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-oneSCHEMBL19285829CHEBI:226634DTXSID501045682HY-N7346BDBM50356924
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 866
물리화학적 성질
- 녹는점
- 163 · 163-165℃
- 끓는 점
- 569.8 · 569.8±50.0 °C(Predicted)
- 밀도
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.85 · 14.85±0.10(Predicted)
관련 반응
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