Hypoestestatin 1
(22S)-4,5,10-trimethoxy-18-azahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(14),2,4,6,8(13),9,11,16(24)-octaene
Also Known As: Hypoestestatin 1|(-)-Hypoestestatin 1|KST-1A0122|J3.051.053D|(S)-9,10,12,13,14,14a,15,16-Octahydro-2,3,6-trimethoxyphenanthro(9,10-g)pyrrolo(1,2-b)isoquinoline|Phenanthro(9,10-g)pyrrolo(1,2-b)isoquinoline, 9,10,12,13,14,14a,15,16-octahydro-2,3,6-trimethoxy-, (S)-|(10aS)-1,2,3,5,6,9,10,10a-Octahydro-8,7-(4,5,5 -trimethoxy-2,2 -biphenylylene)pyrrolo[1,2-b]isoquinoline|(14aS)-2,3,6-Trimethoxy-9,10,12,13,14,14a,15,16-octahydrophenanthro[9,10-g]pyrrolo[1,2-b]isoquinoline|(22S)-4,5,10-trimethoxy-18-azahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(14),2,4,6,8,10,12,16(24)-octaene|2,3,6-Trimethoxy-9,10,12,13,14,14a,15,16-octahydrophenanthro[9,10-g]pyrrolo[1,2-b]isoquinoline
| Molecular Formula | C27H29NO3 |
|---|---|
| Molecular Weight | 415.21475 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.21475 |
| Monoisotopic Mass | 415.21475 |
| Heavy Atoms | 31 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 5382-01-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(CC4=C(C3)CN5CCC[C@H]5C4)C6=CC(=C(C=C62)OC)OC |
| InChIKey | ABHZNXWGGBGWCA-SFHVURJKSA-N |
Product Overview
Hypoestestatin 1 (CAS 5382-01-4), with molecular formula C27H29NO3 and molecular weight 415.21475 g/mol. IUPAC: (22S)-4,5,10-trimethoxy-18-azahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(14),2,4,6,8(13),9,11,16(24)-octaene.
Hypoestestatin 1 is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »