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Molecule
Forskolin
CAS: 66575-29-9 · C22H34O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 66575-29-9
- Molecular Formula
- C22H34O7
- Molecular Mass
- 410.51 g/mol
Identifiers
CAS Registry Number
66575-29-9
SMILES
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1
InChI Key
OHCQJHSOBUTRHG-KGGHGJDLSA-N
InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
Names and Synonyms
- Forskolin Synonym
- 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)- Synonym
- 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3α,4aβ,5β,6β,6aα,10α,10aβ,10bα)]- Synonym
- (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one Synonym
- Forskolin Synonym
- Coleonol Synonym
- Colforsin Synonym
- HL 362 Synonym
- L 75-1362B Synonym
- ForsLean Synonym
- NSC 357088 Synonym
- NSC 375489 Synonym
- (-)-Forskolin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.51 g/mol | CAS Common Chemistry |
| 410.5070000000001 g/mol | RDKit | |
| 410.507 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Forskolin | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1C(O)C2C(C)(C)CCC(O)C2(C)C3(O)C(=O)CC(OC13C)(C=C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OHCQJHSOBUTRHG-KGGHGJDLSA-N | CAS Common Chemistry |
| Melting Point | 232 °C | CAS Common Chemistry |
| Name | Forskolin | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 113.29 Ų | RDKit |
| LogP | 1.5199 | RDKit |
| Molar Refractivity | 104.84540000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 410.2304534279999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 410.51 g/mol. Edit any field — others recompute live.
