Basic information
- CAS
15521-76-3- Standard SMILES
COC(=O)C1=C2C3(O)CC4CC5C3CCC(C)N5C24C2CCC(O)C(OC)C2C1OC(=O)c1ccccc1- InChIKey
QERMOAWMXXPSEU-UHFFFAOYSA-N- Molecular formula
- C30H37NO7
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.25700252
Overview
Methyl 7-(benzoyloxy)-5,9-dihydroxy-8-methoxy-15-methyl-2,3,3a,4,5,7,7a,8,9,10,11,11a-dodecahydro-2,5,1-(butane[1,1,4]triyl)benzo[6,7]indeno[7a,1-b]pyrrole-6-carboxylate has been reported in Galbulimima belgraveana and Galbulimima baccata with data available.
Names & identifiers
- Preferred name
- Himandridine
- IUPAC
- methyl 14-benzoyloxy-11,17-dihydroxy-16-methoxy-3-methyl-2-azahexacyclo[10.8.0.01,9.02,7.06,11.015,20]icos-12-ene-13-carboxylate
- English name
- 5,6,9-[1]Butanyl[4]ylidene-5H-benz[6,7]indeno[7a,1-b]pyrrole-10-carboxylicacid,11-(benzoyloxy)-1,2,3,4,4a,6,7,7a,8,9,11,11a-dodecahydro-2,9-dihydroxy-1-methoxy-15-methyl-,methyl ester, (1S,2R,4aS,4bS,5R,6S,7aR,9S,11R,11aR,12R,15R)- (9CI)
- Molecular formula
- C30H37NO7
- Molecular weight
- 523.61728
Names & synonyms
HIMANDRIDINENSC2397215521-76-3methyl 14-benzoyloxy-11,17-dihydroxy-16-methoxy-3-methyl-2-azahexacyclo[10.8.0.01,9.02,7.06,11.015,20]icos-12-ene-13-carboxylatemethyl 7-(benzoyloxy)-5,9-dihydroxy-8-methoxy-15-methyl-2,3,3a,4,5,7,7a,8,9,10,11,11a-dodecahydro-2,5,1-(butane[1,1,4]triyl)benzo[6,7]indeno[7a,1-b]pyrrole-6-carboxylateorb2663411SCHEMBL30507569DTXSID00935166NSC-23972TN8196methyl benzoyloxy-dihydroxy-methoxy-methyl-[?]carboxylateMethyl 7-(benzoyloxy)-5,9-dihydroxy-8-methoxy-15-methyl-2,3,3a,4,5,7,7a,8,9,10,11,11a-dodecahydro-2,5,1-butane[1,1,4]triylbenzo[6,7]indeno[7a,1-b]pyrrole-6-carboxylate
Show more names
(1S,2R,4aS,4bS,5R,6S,7aR,9S,11R,11aR,12R,15R)-11-(benzoyloxy)-1,2,3,4,4a,6,7,7a,8,9,11,11a-dodecahydro-2,9-dihydroxy-1-methoxy-15-methyl-5,6,9-[1]Butanyl[4]ylidene-5H-benz[6,7]indeno[7a,1-b]pyrrole-10-carboxylic acid, methyl ester5,6,9-[1]Butanyl[4]ylidene-5H-benz[6,7]indeno[7a,1-b]pyrrole-10-carboxylic acid, 11-(benzoyloxy)-1,2,3,4,4a,6,7,7a,8,9,11,11a-dodecahydro-2,9-dihydroxy-1-methoxy-15-methyl-, methyl ester, (1S,2R,4aS,4bS,5R,6S,7aR,9S,11R,11aR,12R,15R)-
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Melting point
- 204 · 204-205 °C(Solv: water (7732-18-5); methanol (67-56-1))
- Boiling point
- 673 · 673.0±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 13.49 · 13.49±0.70(Predicted)
- form
- A solid
Chemistry & industry
Applications
DescriptionHimandridine is an alkaloid that has been found in Galbulimima.1
UsesHimandridine (compound I) is a compound synthesized by a specific chemical reaction and is an intermediate in the synthesis of related alkaloids. The success of its key reaction is sensitive to substrate structure and solvent.
Suppliers7 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…