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| Year of first report: | 1971 |
| Formula: | C29H44O8 |
| Molecular weight: | 520 |
| Occurence in plants: |
Cyathula capitata [Amaranthaceae] »  ![Wikipedia: <br />
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| Occurence in animals: |
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![ISOCYASTERONE [cf. 25-EPI-CYASTERONE]](images/ecdy/220.gif)
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| CI-MS (NH3) m/z | | | EI-MS m/z | 502 (M-18)+, ?, 363, 345, 327, 201, 183, 157, 113 | | HR-MS | |
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| C5D5N | | 01 | | | 02 | | | 03 | | | 04 | | | 05 | | | 06 | | | 07 | | | 08 | | | 09 | | | 10 | | | 11 | | | 12 | | | 13 | | | 14 | | | 15 | | | 16 | | | 17 | | | 18 | | | 19 | | | 20 | | | 21 | | | 22 | | | 23 | | | 24 | | | 25 | | | 26 | | | 27 | | | 28 | | | 29 | |
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| CDCl3 | | 01-Ha | | | 02-Ha | ~ 5.05 | | 03-He | ~ 5.33 (ddd ) | | 04-Ha | | | 04-He | | | 05-H | | | 07-H | 5.86 (d ) | | 09-Ha | | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | 0.85 (s ) | | 19-Me | 1.02 (s ) | | 21-Me | 1.28 (s ) | | 22-H | ~ 4.99 | | 23-Ha | | | 24-Ha | | | 24-Hb | | | 25-H | | | 26-Me | -- | | 27-Me | 1.22 (d ) | | 28-H | 4.64 (dq ) | | 29-Me | 1.42 (d ) |
| C5D5N | | 01-Ha | | | 02-Ha | | | 03-He | | | 04-Ha | | | 04-He | | | 05-H | | | 07-H | 6.16 (d ) | | 09-Ha | | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | 1.16 (s ) | | 19-Me | 1.04 (s ) | | 21-Me | 1.52 (s ) | | 22-H | | | 23-Ha | | | 24-Ha | | | 24-Hb | | | 25-H | | | 26-Me | -- | | 27-Me | 1.24 (d ) | | 28-H | | | 29-Me | 1.19 (d ) |
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| M.P. | amorphous | | [α]D20 | +65.3 ° (c ; MeOH) | | IR (KBr) ν max (cm-1) | 3425, 1755 (?-lactone), 1650 | | UV (MeOH) λ max (log ε) | 242 (4.02) |
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Permanent link to this datasheet: ISOCYASTERONE [cf. 25-EPI-CYASTERONE]
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