멜리아노디올
(13alpha,14beta,17alpha,20S,21R,23R,24S)-21,23-Epoxy-21,24,25-trihydroxylanost-7-en-3-one
기본 정보
- CAS
32764-64-0- 표준 SMILES
CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1- InChIKey
AOVNJUKMQOLLCG-STEPOWRLSA-N- 분자식
- C30H48O5
- 평균 분자량
- 488.7 g/mol
- 단동위원소 질량
- 488.35017463
개요
Melianodiol has been reported in Raulinoa echinata, Trichilia hirta, and other organisms with data available.
이름 및 식별자
- 우선 이름
- (13alpha,14beta,17alpha,20S,21R,23R,24S)-21,23-Epoxy-21,24,25-trihydroxylanost-7-en-3-one
- IUPAC
- (5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
- 현지명
- 멜리아노디올
- 영어명
- melianodiol
- 분자식
- C30H48O5
- 분자량
- 488.7
이름 및 동의어
Melianodiol32764-64-0(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-oneDTXSID50186429(5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((1S)-1,2-dihydroxy-2-methylpropyl)-2-hydroxyoxolan-3-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta(a)phenanthren-3-oneRefChem:905640DTXCID10108920(13alpha,14beta,17alpha,20S,21R,23R,24S)-21,23-Epoxy-21,24,25-trihydroxylanost-7-en-3-oneLanost-7-en-3-one, 21,23-epoxy-21,24,25-trihydroxy-, (13alpha,14beta,17alpha,20S,21R,23R,24S)-orb1701946AKOS040747146(5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((S)-1,2-dihydroxy-2-methylpropyl)-2-hydroxytetrahydrofuran-3-yl)-4,4,10,13,14-pentamethyl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
이름 더 보기
멜리아노디올(13α,14β,17α,20S,21R,23R,24S)-21,23-Epoxy-21,24,25-trihydroxylanost-7-en-3-one
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 922
물리화학적 성질
- 녹는점
- 230 · 230-232 °C
- 끓는 점
- 619.3 · 619.3±55.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.99 · 12.99±0.60(Predicted)
관련 반응
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