Crivelline
Basic information
- CAS
545-16-4- Standard SMILES
CO[C@H]1C=C[C@@]23c4cc5c(cc4CO[C@]2(O)CN(C)[C@H]3C1)OCO5- InChIKey
YLWAQARRNQVEHD-GYIHYUDTSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14197277
Overview
Crivelline has been reported in Crinum firmifolium with data available.
Names & identifiers
- Preferred name
- Crivelline
- IUPAC
- (1S,13S,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol
- English name
- (3α)-Tazettine
- Molecular formula
- C18H21NO5
- Molecular weight
- 331.36304
Names & synonyms
Crivelline3-EpitazettineCRIWELLINE545-16-4(1S,13S,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-olNSC 88419Tazettine, (3alpha)-Tazettine, (3.alpha.)-CHEMBL1997188SCHEMBL30661980DTXSID401107330NSC88419
Show more names
(3α)-Tazettine(3R,4aβ,6aα,13bS)-4,4a,5,6-Tetrahydro-3-methoxy-5-methyl-8H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol
NSC-88419NCI60_041957(3R,4aS,6aS,13bS)-4,4a,5,6-Tetrahydro-3-methoxy-5-methyl-8H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol
Database identifiers
- CAS
545-16-4- PubChem CID
- 101760
- DTXSID
DTXSID401107330- ChEMBL
CHEMBL1997188- Nikkaji
- J117.066J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 556
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Related reactions
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Compound notes
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