Basic information
- CAS
143502-51-6- Standard SMILES
CC1=C2[C@@H](CC[C@]13O[C@@H]1C[C@H](C)CN[C@H]1[C@H]3C)[C@@H]1CC(=O)[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1[C@H]2O- InChIKey
NURPXYQPDMVKOY-RUKZUWONSA-N- Molecular formula
- C27H41NO4
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 443.30355879
Overview
Yibeissine has been reported in Fritillaria pallidiflora with data available.
Names & identifiers
- Preferred name
- Yibeissine
- IUPAC
- (3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3,11-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one
- English name
- yibeissine
- Molecular formula
- C27H41NO4
- Molecular weight
- 443.62
Names & synonyms
Yibeissine143502-51-6Veratraman-6(5H)-one, 17,23-epoxy-3,11-dihydroxy-, (3beta,5alpha,11beta,23beta)-(3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3,11-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-oneorb1218814orb1297029DTXSID70931918MSK179511TN6712AKOS040763650EBC-617587DA-68768
Show more names
yibeissine, 10 mM in DMSOInhibitor,inhibit,yibeissineSpiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one, 1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3,11-dihydroxy-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,11R,11aS,11bR)-
MS-27995HY-121631CS-0082919G179093,11-Dihydroxy-5,6-dihydro-17,23-epoxyveratraman-6-one(22S,23R)-3beta,11beta-Dihydroxy-5alpha,17beta-5,6-dihydro-17,23-epoxyveratraman-6-one(3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3,11-dihydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',4a,5,5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-icosahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-5-one
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 855
Physicochemical properties
- Boiling point
- 611.6 · 611.6±55.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 14.44 · 14.44±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- InChIKey
- NURPXYQPDMVKOY-RUKZUWONSA-N
- SMILES
- [C@H]1(O)C2[C@@]([H])(CC[C@@]3([C@H](C)[C@]4([H])NC[C@@H](C)C[C@@]4([H])O3)C=2C)[C@@]2([H])[C@@]1([H])[C@@]1(C)CC[C@H](O)C[C@]1([H])C(=O)C2
Chemistry & industry
Applications
UsesYibeissine is a steroidal alkaloid isolated from the bulb of Fritillaria pallioiflora Schren[1].
Suppliers37 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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