기본 정보
- CAS
39941-51-0- 표준 SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
BJNQXJIQCPPOHN-UHFFFAOYSA-N- 분자식
- C50H82O22
- 평균 분자량
- 1,035.2 g/mol
- 단동위원소 질량
- 1,034.52977424
개요
Uttronin A has been reported in Tribulus terrestris with data available.
이름 및 식별자
- 우선 이름
- Uttronin A
- IUPAC
- 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- uttronin A
- 분자식
- C50H82O22
- 분자량
- 1035.17
이름 및 동의어
Uttronin ARefChem:9338772-(2-(4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl)oxyoxan-3-yl)oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol39941-51-0NSC698797Spirostan-3-yl 4-O-(2-O-hexopyranosyl-3-O-pentopyranosylhexopyranosyl)hexopyranoside2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5'-tetramethylspiro[[?]-2,2'-tetrahydropyran]yl)oxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triolDegalactotigoninTTS 15Dihydroaspidistrinβ-Lycotetraosyltigogeninbeta-Lycotetraosyltigogenin
이름 더 보기
[(25R)-5α-Spirostan-3β-yl]4-O-(2-O-β-D-glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranoside(25R)-3β-[4-O-(2-O-β-D-Glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranosyloxy]-5α-spirostane
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 335 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 1,840
물리화학적 성질
- 녹는점
- 284 · 284-286℃
- 밀도
- 1.49 · 1.49
- 산도 계수 (pKa)
- 12.77 · 12.77±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
화학 및 산업
공급사3 곳
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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