Basic information
- CAS
137109-33-2- Standard SMILES
CC1=CCC[C@@H]2[C@@](C)(CC/C(C=O)=C/C(=O)O)[C@H](C)CC[C@@]12C- InChIKey
LUZARHTWSOXFLP-DQLOYZPXSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Overview
from Polyalthia longifolia; structure given in first source
Names & identifiers
- Preferred name
- Polyalthialdoic acid
- IUPAC
- (Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid
- English name
- polyalthialdoic acid
- Molecular formula
- C20H30O3
- Molecular weight
- 318.4504
Names & synonyms
137109-33-216-Oxocleroda-3,13(14)-dien-15-oic acid(Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid(Z)-5-((1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-formylpent-2-enoic acidRefChem:175129(1S-(1alpha(Z),2beta,4abeta,8aalpha))-3-Formyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-2-pentenoic acid2-Pentenoic acid, 3-formyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-, (1S-(1alpha(Z),2beta,4abeta,8aalpha))-polyalthialdoic acid
Database identifiers
- CAS
137109-33-2- PubChem CID
- 6438696
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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