Tenacissoside F
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기본 정보
- CAS
928151-78-4- 표준 SMILES
CO[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]56O[C@@]57CC[C@@H](C(C)=O)[C@@]7(C)[C@H](O)[C@@H](O)[C@H]46)C3)C[C@H]2OC)O[C@H](C)[C@H]1O- InChIKey
WGOHWIVFCMYBJP-HCGZSUPLSA-N- 분자식
- C35H56O12
- 평균 분자량
- 668.8 g/mol
- 단동위원소 질량
- 668.37717722
개요
1-[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone has been reported in Marsdenia tenacissima with data available.
이름 및 식별자
- 우선 이름
- Tenacissoside F
- IUPAC
- 1-[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone
- 영어명
- Tenacissoside F
- 분자식
- C35H56O12
- 분자량
- 668.81
이름 및 동의어
Tenacissoside F1-[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone1-((1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-14-((2R,4R,5R,6R)-5-((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo(8.8.0.01,3.03,7.011,16)octadecan-6-yl)ethanoneRefChem:187823928151-78-4(3beta,5alpha,11alpha,12beta,14beta,17alpha)-3-[[2,6-Dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-beta-D-arabino-hexopyranosyl]oxy]-8,14-epoxy-11,12-dihydroxypregnan-20-oneorb1681585TN5126AKOS032961571FS-9165Pregnan-20-one, 3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl)-3-O-methyl-β-D-arabino-hexopyranosyl]oxy]-8,14-epoxy-11,12-dihydroxy-, (3β,5α,11α,12β,14β,17α)-
데이터베이스 식별자
- CAS
928151-78-4
물성
구조 계산 물성보충 중
- XLogP
- 0.7
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,200
물리화학적 성질
- 끓는 점
- 783.1 · 783.1±60.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.89 · 12.89±0.70(Predicted)
관련 반응
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