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| Year of first report: | 2002 |
| Formula: | C27H44O7 |
| Molecular weight: | 480 |
| Occurence in plants: |
Vitex scabra [Lamiaceae] »  ![Wikipedia: <br />
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| Occurence in animals: |
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| ES-MS m/z (positive ion mode) | 503 [M+Na]+ (100) | | EI-MS m/z (relative intensity %) | | | HR-MS (negative mode) | 479.3011 [M-H] - (calculated for C27H43O7, 479.3008) |
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| C5D5N | | 01 | 39.6 | | 02 | 68.3 | | 03 | 68.0 | | 04 | 32.8 | | 05 | 52.7 | | 06 | 204.1 | | 07 | 122.0 | | 08 | 164.5 | | 09 | 42.6 | | 10 | 39.4 | | 11 | 68.8 | | 12 | 43.8 | | 13 | 47.5 | | 14 | 84.4 | | 15 | 31.5 | | 16 | 19.5 | | 17 | 53.2 | | 18 | 18.7 | | 19 | 24.7 | | 20 | 74.2 | | 21 | 26.7 | | 22 | 45.4 | | 23 | 21.8 | | 24 | 45.6 | | 25 | 69.6 | | 26 | 29.6 | | 27 | 29.8 |
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| C5D5N | | 01-Ha | | | 01-He | | | 02-Ha | 4.56 (m) | | 03-He | 4.21 (m, w1/2 = 7) | | 04-Ha | | | 04-He | | | 05-H | 3.00 (dd, 13.1, 3.6) | | 07-H | 6.26 (d, 2.1) | | 09-H | 3.84 (dd, 8.5, 2.1) | | 11-H | 4.56 (m) | | 12-Ha | 2.99 (m) | | 12-He | 2.65 (dd, 11.9, 5.8) | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | 2.93 (t, 9) | | 18-Me | 1.18 (s) | | 19-Me | 1.29 (s) | | 21-Me | 1.53 (s) | | 22-Ha | | | 22-Hb | | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 26-Me | 1.33 (s) | | 27-Me | 1.33 (s) |
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| M.P. | - °C ; | | [α]D20 | ? ° (c ; MeOH) | | IR (KBr) ν max (cm-1) | 3422, 2925, 1654, 1384 | | UV (EtOH) λ max (log ε) | - (-) ; |
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Permanent link to this datasheet: SCABRASTERONE
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