TABLE 1.
Comparison of observed and calculated Raman bands for botryococcenes
| Molecule | C=C type | Bond number (as shown in Fig. 6) | Frequency range |
|
|---|---|---|---|---|
| Observed | Calculated | |||
| cm−1 | cm−1 | |||
| C30H50 | Backbone | 1, 2, 4, 5, 6 | 1670 | 1663–1679 |
| Exomethylene | NPa | NP | NP | |
| Branch | 3 | 1640 | 1649 | |
| C31H52-a | Backbone | 2, 4, 5, 6 | NDb | 1668–1679 |
| Exomethylene | 1 | ND | 1654 | |
| Branch | 3 | ND | 1643 | |
| C31H52-b | Backbone | 1, 2, 4, 5 | ND | 1667–1679 |
| Exomethylene | 6 | ND | 1654 | |
| Branch | 3 | ND | 1643 | |
| C32H54 | Backbone | 2, 4, 5 | 1670 | 1667–1671 |
| Exomethylene | 1, 6 | 1647 | 1654 | |
| Branch | 3 | 1639 | 1642 | |
| C33H56 | Backbone | 2, 4 | 1670 | 1668–1670 |
| Exomethylene | 1, 5, 6 | 1647 | 1652–1655 | |
| Branch | 3 | 1639 | 1644 | |
| C34H58 | Backbone | 4 | 1660 | 1668 |
| Exomethylene | 1, 2, 5, 6 | 1647 | 1646–1655 | |
| Branch | 3 | 1639 | 1642 | |
a Not present in this structure.
b Not determined.