Basic information
- CAS
117842-14-5- Standard SMILES
CC(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)[C@@H]1OC[C@@]3(C)[C@@H]1[C@]2(C)[C@@H](OC(C)=O)C[C@H]3OC(C)=O- InChIKey
SAEWWOQZFBDINP-CNTUVSRUSA-N- Molecular formula
- C32H42O9
- Average molar mass
- 570.7 g/mol
Names & identifiers
- Preferred name
- 1-Acetyltrichilinin
- IUPAC
- [(1R,2R,4S,5S,6S,10R,11S,12R,15R,16R,18S,19S)-16,18-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-4-yl] acetate
- English name
- 1-Acetyltrichilinin
- Molecular formula
- C32H42O9
- Molecular weight
- 570.68
Names & synonyms
1-Acetyltrichilinin117842-14-5orb2893523TN8503HY-107296F9293024-Norchola-5,14,20,22-tetraeno[6,5,4-bc]furan-1,3,7,12-tetrol, 21,23-epoxy-4,5,5',6-tetrahydro-4,8-dimethyl-, 1,3,12-triacetate, (1α,3α,4β,5β,6β,7α,12α,13α,17α)-
Database identifiers
- CAS
117842-14-5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,170
Physicochemical properties
- Boiling point
- 614.4 · 614.4±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.70(Predicted)
Chemistry & industry
Applications
Uses1-Acetyltrichilinin is a limonoid that can be isolated from the fruit of Melia toosendan and is a biosynthetic precursor of voltagenin[1][2].
Suppliers16 total
成都曼思特生物科技有限公司18010516991 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Aladdin Scientific[email protected]
桂林莱科生物科技有限公司18978670903 18107731009 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海语纯生物科技有限公司021-021-52273538 17321241593 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
Wuhan ChemNorm Biotech Co.,Ltd.+86-27-8439 4403 18971486879 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京尚书生物科技有限公司18266960953 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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