Basic information
- CAS
30759-92-3- Standard SMILES
CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1- InChIKey
VCNKUCWWHVTTBY-UFBHZMJMSA-N- Molecular formula
- C30H52
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.40690166
Overview
18alpha-Oleanane has been reported in Kalanchoe pinnata with data available.
Names & identifiers
- Preferred name
- 18alpha-Oleanane
- IUPAC
- (4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
Names & synonyms
18alpha-Oleanane30759-92-3(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene18a(H)-Oleanane(18I+/-)-OleananeSCHEMBL29397134VCNKUCWWHVTTBY-UFBHZMJMSA-NDTXSID301019528
Database identifiers
- CAS
30759-92-3- PubChem CID
- 12306152
- DTXSID
DTXSID301019528- Nikkaji
- J88.681E
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 701
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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