Basic information
- CAS
5876-23-3- Standard SMILES
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@](O)([C@@H](O)C[C@@]3(O)[C@@H]4CC[C@@H]5[C@]6(O)O[C@@]4(C[C@@]13O)[C@@]5(C)CC[C@@H]6O)[C@]2(C)O- InChIKey
MZHXYVMEVBEFAL-XXFAKQOHSA-N- Molecular formula
- C27H43NO8
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.29886733
Overview
Veracevine is a cyclic hemiketal that is cevane that has an oxygen bridge from the 4alpha to the 9 position and is substituted by hydroxy groups at the 3beta, 4beta, 12, 14, 16beta, 17, and 20 positions. It has a role as an insecticide. It is an alkaloid, a tertiary alcohol, a secondary alcohol, a tertiary amino compound, a cyclic hemiketal and a heptol. It derives from a hydride of a cevane.
Names & identifiers
- Preferred name
- (3beta,4alpha,16beta)-4,9-Epoxycevane-3,4,12,14,16,17,20-heptol
- IUPAC
- (1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol
Names & synonyms
VeracevineVeracevinProtocevin5876-23-3U3QTV3Z77RCevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-CHEBI:9947DTXSID501027212NSC-1275704alpha,9-epoxycevane-3beta,4beta,12,14,16beta,17,20-heptolRefChem:1050180DTXCID401513709
Show more names
(3beta,4alpha,16beta)-4,9-Epoxycevane-3,4,12,14,16,17,20-heptolProtocevine(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol4,9-epoxycevane-3beta,4beta,12,14,16beta,17,20-heptoltrimethyl[?]heptolUNII-U3QTV3Z77RNSC127570NSC 127570
Database identifiers
- CAS
5876-23-3- PubChem CID
- 442986
- DTXSID
DTXSID501027212- ChEMBL
CHEMBL2023796- ChEBI
CHEBI:9947- UNII
- U3QTV3Z77R
- Nikkaji
- J17.866G
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 999
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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