11-옥소모그로사이드I
11-Oxomogroside IIE
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기본 정보
- CAS
918972-06-2- 표준 SMILES
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C- InChIKey
TUFDSEMWRYIOBO-SBBXLVFCSA-N- 분자식
- C42H70O14
- 평균 분자량
- 799 g/mol
- 단동위원소 질량
- 798.4765569
개요
11-Oxomogroside IIE has been reported in Siraitia grosvenorii with data available.
이름 및 식별자
- 우선 이름
- 11-Oxomogroside IIE
- IUPAC
- (3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
- 현지명
- 11-옥소모그로사이드I
- 영어명
- 11-Oxomogroside I
- 분자식
- C42H70O14
- 분자량
- 799.01
이름 및 동의어
11-Oxomogroside IIE918972-06-2(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one(3S,8S,9R,10R,13R,14S,17R)-17-((2R,5R)-6-hydroxy-6-methyl-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyheptan-2-yl)-4,4,9,13,14-pentamethyl-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta(a)phenanthren-11-oneRefChem:7799911-Oxomogroside I11-O-mogroside IIE11-O-mogroside IIE1orb1710633SCHEMBL29636989HY-N6852AKOS040732237
이름 더 보기
11-옥소모그로사이드IOxomogroside iie19-Norlanost-5-en-11-one, 3,24-bis(β-D-glucopyranosyloxy)-25-hydroxy-9-methyl-, (3β,9β,10α,24R)-
DA-69449PD125088CS-0100278T10043(3S,8S,9R,10R,13R,14S,17R)-17-((2R,5R)-6-Hydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)heptan-2-yl)-4,4,9,13,14-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2
물성
구조 계산 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 236 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,450
물리화학적 성질
- 끓는 점
- 908.2 · 908.2±65.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.91 · 12.91±0.70(Predicted)
관련 반응
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