(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-9-hydroxy-6,10,10,14,15-pentamethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
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Basic information
- CAS
3676-33-3- Standard SMILES
C=C1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]14C- InChIKey
CVXSABLWMZKUDU-CPDBGCNMSA-N- Molecular formula
- C29H42O4
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.30830982
Names & identifiers
- Preferred name
- (1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-9-hydroxy-6,10,10,14,15-pentamethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
- IUPAC
- (1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-9-hydroxy-6,10,10,14,15-pentamethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
- English name
- 11α,12α-Epoxy-3β,13-dihydroxy-30-norolean-20(29)-en-28-oic acid γ-lactone
- Molecular formula
- C29H42O4
- Molecular weight
- 454.64138
Names & synonyms
Eupteleogenin11α,12α-Epoxy-3β,13-dihydroxy-30-norolean-20(29)-en-28-oic acid γ-lactone
Database identifiers
- CAS
3676-33-3- PubChem CID
- 12312939
- Nikkaji
- J14.503C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 971
Related reactions
0 records
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Compound notes
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