Basic information
- CAS
90297-52-2- Standard SMILES
C=C[C@@]1(C)CC[C@](C)(C(C)C)c2cc3c4c(c[nH]c4c21)C[C@@H](COC)NC(=O)[C@H](C(C)C)N3C- InChIKey
HQINLFPKZPQGGD-ZVYOULDASA-N- Molecular formula
- C29H43N3O2
- Average molar mass
- 465.7 g/mol
- Monoisotopic mass
- 465.33552762
Overview
Olivoretin A is an amino acid amide.
Names & identifiers
- Preferred name
- Olivoretin
- IUPAC
- (6S,9S,14R,17R)-17-ethenyl-6-(methoxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one
- English name
- olivoretin
- Molecular formula
- C29H43N3O2
- Molecular weight
- 465.67062
Names & synonyms
OlivoretinOlivoretin A90297-52-2DTXSID00238083(6S,9S,14R,17R)-17-ethenyl-6-(methoxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one(6S,9S,14R,17R)-17-ethenyl-6-(methoxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo(9.7.1.04,19.013,18)nonadeca-1(18),3,11(19),12-tetraen-8-oneRefChem:168165DTXCID20160574SCHEMBL29783147CHEBI:226710(4S,7S,10R,13R)-13-Ethenyl-4-(methoxymethyl)-8,10,13-trimethyl-7,10-di(propan-2-yl)-1,3,4,5,7,8,10,11,12,13-decahydro-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one6H-Benzo(g)(1,4)diazonino(7,6,5-cd)indol-6-one, 13-ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10,13-trimethyl-7,10-bis(1-methylethyl)-, (4S-(4R*,7R*,10S*,13S*))-
Show more names
(4S,7S,10R,13R)-13-Ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10,13-trimethyl-7,10-diisopropyl-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 768
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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