Primary record
Vinigrol
- CAS
- 111025-83-3
- PubChem CID
- 197229
- SMILES
- C[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@]3([C@H]1C=C([C@H]([C@H]23)O)CO)O)C)C(C)C
- Molecular Formula
- C20H34O3
- Molecular Weight
- 322.489
- Exact Mass
- 322.2508
- InChI
- InChI=1S/C20H34O3/c1-11(2)15-7-5-12(3)17-9-14(10-21)19(22)18-16(15)8-6-13(4)20(17,18)23/h9,11-13,15-19,21-23H,5-8,10H2,1-4H3/t12-,13+,15-,16+,17-,18-,19+,20-/m0/s1
- InChIKey
- UADXIAKXDDMQEN-PEOWTYOISA-N
- LogP
- 2.9913
- TPSA
- 60.69
Names and synonyms
- Vinigrol
- RefChem:934042
- AC1L5342
- 111025-83-3
- PTS18 Trisodium 8-octadecyloxypyrene-1,3,6-trisulfonate
- (1S,2R,5R,6S,9S,10R,13S,14S)-12-(Hydroxymethyl)-2,9-dimethyl-6-propan-2-yltricyclo[8.4.0.05,14]tetradec-11-ene-1,13-diol
- (1S,2R,5S,6S,9S,10R,13S,14S)-12-(hydroxymethyl)-2,9-dimethyl-6-propan-2-yltricyclo(8.4.0.05,14)tetradec-11-ene-1,13-diol