Himandrine
Basic information
- CAS
15610-97-6- Standard SMILES
COC(=O)C1=C2C3(O)CC4CC5C3CCC(C)N5C24C2CCCC(OC)C2C1OC(=O)c1ccccc1- InChIKey
YYRMLJPFAHKRJD-UHFFFAOYSA-N- Molecular formula
- C30H37NO6
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.2620879
Overview
Methyl 7-(benzoyloxy)-5-hydroxy-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
- Himandrine
- IUPAC
- methyl 14-benzoyloxy-11-hydroxy-16-methoxy-3-methyl-2-azahexacyclo[10.8.0.01,9.02,7.06,11.015,20]icos-12-ene-13-carboxylate
- English name
- Methyl 16α-(benzoyloxy)-20-hydroxy-14α-methoxyhimbosan-18-oate
- Molecular formula
- C30H37NO6
- Molecular weight
- 507.62
Names & synonyms
HIMANDRINE15610-97-6RefChem:146425Himandridine, 13-deoxy-NSC23971NSC 23971methyl 7-(benzoyloxy)-5-hydroxy-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-carboxylateSCHEMBL30507503DTXSID70935370NSC-23971methyl benzoyloxy-hydroxy-methoxy-methyl-[?]carboxylateHimbosan-18-oic acid, methyl ester, (14.alpha.,16.alpha.)-
Show more names
Methyl 16α-(benzoyloxy)-20-hydroxy-14α-methoxyhimbosan-18-oate5,6,9-[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-9-hydroxy-1-methoxy-15-methyl-, methyl ester, (1S,4aR,4bR,5S,6R,7aS,9R,11S,11aS,12S,15S)-
Methyl 7-(benzoyloxy)-5-hydroxy-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
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,020
Chemistry & industry
Applications
DescriptionHimandrine is a member of the class II galbulimima alkaloids.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…